#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dws n HIS -1 N 0.00 0.00 0.05 1.57 -0.00 -1.26 -4.38 115.22 111.20 3dws n HIS -1 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3dws n HIS -1 Cb 0.00 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.43 3dws n HIS -1 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3dws n HIS 0 N -3.76 0.00 0.00 1.57 -0.00 -1.26 -1.37 115.22 110.40 3dws n HIS 0 Ca -0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 3dws n HIS 0 Cb 0.57 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 3dws n HIS 0 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3dws n SER 2 N 0.57 0.00 0.03 0.41 2.88 -1.26 -1.31 113.62 114.93 3dws n SER 2 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3dws n SER 2 Cb 0.02 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.78 3dws n SER 2 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3dws h LEU 3 N 0.00 0.42 0.05 2.46 6.46 -1.57 -2.69 115.31 120.44 3dws h LEU 3 Ca 0.00 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.61 3dws h LEU 3 Cb 0.00 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.83 3dws h LEU 3 CO 0.00 0.54 -0.27 0.00 -0.62 0.00 0.00 178.44 178.10 3dws h ALA 4 N 1.51 -0.03 -1.03 1.25 0.00 -1.46 -2.98 119.26 116.52 3dws h ALA 4 Ca 0.08 -0.56 0.33 0.00 0.00 0.00 0.00 54.91 54.76 3dws h ALA 4 Cb 0.40 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 3dws h ALA 4 CO 0.02 0.12 0.59 0.28 0.00 0.00 0.00 179.25 180.27 3dws h VAL 5 N -0.79 0.28 -0.04 0.00 2.07 -1.82 -0.92 116.25 115.03 3dws h VAL 5 Ca -0.05 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 67.15 3dws h VAL 5 Cb 1.21 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3dws h VAL 5 CO 0.05 0.05 -0.88 -0.08 0.02 0.00 0.00 177.57 176.73 3dws h GLU 6 N 0.30 0.49 -0.40 1.57 4.81 -1.51 -1.84 114.58 118.00 3dws h GLU 6 Ca 0.74 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3dws h GLU 6 Cb 1.76 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.24 3dws h GLU 6 CO -0.59 1.12 0.26 0.00 -0.73 0.00 0.00 179.01 179.07 3dws h ALA 7 N 0.73 1.69 -0.41 2.92 0.00 -1.08 -1.88 119.26 121.24 3dws h ALA 7 Ca -0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3dws h ALA 7 Cb 1.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3dws h ALA 7 CO 0.16 0.28 -0.33 0.28 0.00 0.00 0.00 179.25 179.64 3dws h VAL 8 N 0.55 1.27 0.52 0.00 2.07 -0.94 -2.06 116.25 117.67 3dws h VAL 8 Ca 0.15 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 3dws h VAL 8 Cb -0.04 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3dws h VAL 8 CO -0.03 0.51 -0.25 0.50 0.02 0.00 0.00 177.57 178.32 3dws h LYS 9 N 0.78 -0.67 -0.79 1.57 3.64 -1.03 -1.66 116.57 118.40 3dws h LYS 9 Ca 0.08 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3dws h LYS 9 Cb 0.92 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.82 3dws h LYS 9 CO 0.09 -0.44 0.45 -0.44 -2.27 0.00 0.00 179.45 176.84 3dws h ASP 10 N -0.72 0.65 -0.53 4.20 3.45 -1.34 0.49 116.42 122.61 3dws h ASP 10 Ca -0.07 0.04 0.06 0.00 0.43 0.00 0.00 57.03 57.49 3dws h ASP 10 Cb 0.54 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.18 3dws h ASP 10 CO 0.12 0.38 0.24 0.15 -1.57 0.00 0.00 179.24 178.55 3dws h PHE 11 N 0.77 0.43 -0.48 4.55 3.57 -1.27 -2.32 116.94 122.19 3dws h PHE 11 Ca 0.38 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 3dws h PHE 11 Cb 0.33 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3dws h PHE 11 CO -0.07 0.17 0.11 -0.07 -2.23 0.00 0.00 178.31 176.23 3dws h LEU 12 N 0.45 0.73 -0.74 0.59 3.38 0.86 0.11 115.31 120.69 3dws h LEU 12 Ca 0.25 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dws h LEU 12 Cb 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3dws h LEU 12 CO -0.21 0.78 0.49 -0.07 0.09 0.00 0.00 178.44 179.51 3dws h LEU 13 N 0.65 0.86 -0.40 1.67 3.38 -0.81 -2.10 115.31 118.57 3dws h LEU 13 Ca 0.15 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 3dws h LEU 13 Cb 0.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3dws h LEU 13 CO 0.00 0.63 -0.48 0.50 0.09 0.00 0.00 178.44 179.18 3dws h LYS 14 N 1.01 0.83 -0.99 1.13 3.64 -1.22 -2.76 116.57 118.20 3dws h LYS 14 Ca 0.27 -0.48 0.14 0.00 -1.27 0.00 0.00 60.65 59.30 3dws h LYS 14 Cb -0.11 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.67 3dws h LYS 14 CO -0.06 1.12 0.61 1.25 -2.27 0.00 0.00 179.45 180.10 3dws h LEU 15 N 0.65 0.87 0.01 5.20 5.85 -0.31 -0.07 115.31 127.50 3dws h LEU 15 Ca 0.03 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3dws h LEU 15 Cb 1.07 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3dws h LEU 15 CO 0.11 0.43 -0.00 -0.61 -0.34 0.00 0.00 178.44 178.02 3dws h GLN 16 N 0.92 -0.01 -0.52 1.25 4.15 -1.27 -0.49 115.11 119.15 3dws h GLN 16 Ca 0.51 0.00 0.09 0.00 0.77 0.00 0.00 58.65 60.02 3dws h GLN 16 Cb 0.58 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 3dws h GLN 16 CO -0.30 0.54 0.12 -0.44 -1.93 0.00 0.00 178.83 176.83 3dws h ASP 17 N -0.56 0.05 -0.42 -0.69 3.32 -1.19 0.40 116.42 117.33 3dws h ASP 17 Ca -0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3dws h ASP 17 Cb 0.55 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3dws h ASP 17 CO 0.00 0.05 0.21 0.44 -1.72 0.00 0.00 179.24 178.22 3dws h ASP 18 N 0.27 0.54 -0.39 6.45 3.32 -0.92 0.13 116.42 125.82 3dws h ASP 18 Ca 0.26 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3dws h ASP 18 Cb 0.34 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3dws h ASP 18 CO -0.32 0.51 0.09 0.40 -1.72 0.00 0.00 179.24 178.19 3dws h ILE 19 N 0.54 1.23 -0.14 0.35 2.04 -0.76 -1.74 117.51 119.02 3dws h ILE 19 Ca 0.15 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3dws h ILE 19 Cb 0.10 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3dws h ILE 19 CO -0.02 0.28 0.08 0.00 0.00 0.00 0.00 178.15 178.49 3dws h GLU 21 N 0.13 -0.43 -0.44 0.00 4.81 -0.71 0.30 114.58 118.24 3dws h GLU 21 Ca 0.05 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3dws h GLU 21 Cb 0.07 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 3dws h GLU 21 CO -0.01 -0.29 0.03 0.00 -0.73 0.00 0.00 179.01 178.01 3dws h ALA 22 N 0.28 0.44 -0.48 2.92 0.00 -1.15 0.23 119.26 121.50 3dws h ALA 22 Ca 0.08 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3dws h ALA 22 Cb 0.58 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3dws h ALA 22 CO -0.35 -0.37 -0.06 -0.07 0.00 0.00 0.00 179.25 178.41 3dws h LEU 23 N 0.15 0.81 -0.76 0.00 3.38 -0.61 -2.19 115.31 116.08 3dws h LEU 23 Ca 0.22 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3dws h LEU 23 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3dws h LEU 23 CO -0.34 0.91 0.02 -0.33 0.09 0.00 0.00 178.44 178.79 3dws h GLU 24 N 0.76 0.96 -0.87 1.13 5.08 0.16 -2.55 114.58 119.25 3dws h GLU 24 Ca 0.14 -0.28 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3dws h GLU 24 Cb 0.54 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3dws h GLU 24 CO 0.03 0.93 0.57 0.00 -1.00 0.00 0.00 179.01 179.54 3dws h ALA 25 N 1.13 1.55 0.00 3.43 0.00 0.01 -2.09 119.26 123.29 3dws h ALA 25 Ca 0.17 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3dws h ALA 25 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dws h ALA 25 CO 0.02 0.32 -0.82 0.93 0.00 0.00 0.00 179.25 179.70 3dws h GLU 26 N 0.97 0.00 0.05 0.00 4.39 -1.19 -3.35 114.58 115.45 3dws h GLU 26 Ca 0.38 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 3dws h GLU 26 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3dws h GLU 26 CO -0.14 0.82 -0.02 0.22 -1.16 0.00 0.00 179.01 178.73 3dws h ASP 27 N 0.00 -0.06 0.00 1.42 1.82 -1.15 -3.45 116.42 115.00 3dws h ASP 27 Ca -0.01 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 3dws h ASP 27 Cb 1.56 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.59 3dws h ASP 27 CO 0.11 0.68 0.00 0.61 -1.61 0.00 0.00 179.24 179.02 3dws n GLY 28 N 1.21 2.86 0.60 -0.78 0.00 -0.81 -4.48 105.19 103.79 3dws n GLY 28 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 3dws n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dws n GLN 29 N -0.75 0.14 -2.99 1.61 7.27 -1.26 -5.05 117.38 116.36 3dws n GLN 29 Ca 0.00 0.06 -0.26 0.00 0.07 0.00 0.00 57.00 56.87 3dws n GLN 29 Cb 0.00 -0.64 -0.01 0.00 2.41 0.00 0.00 30.24 32.00 3dws n GLN 29 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dws s ALA 30 N -2.42 3.54 0.08 1.69 0.00 -1.26 -5.00 121.76 118.39 3dws s ALA 30 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3dws s ALA 30 Cb 0.01 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 3dws s ALA 30 CO 0.12 -0.19 -0.07 0.95 0.00 0.00 0.00 175.76 176.56 3dws s THR 31 N -2.54 0.62 0.30 0.00 -4.23 -1.26 -4.87 115.64 103.67 3dws s THR 31 Ca 0.44 -1.64 -0.29 0.00 -1.18 0.00 0.00 61.69 59.02 3dws s THR 31 Cb -0.10 -1.31 -0.10 0.00 1.34 0.00 0.00 72.50 72.33 3dws s THR 31 CO 0.41 -0.71 1.39 -0.36 -0.54 0.00 0.00 174.62 174.81 3dws s PHE 32 N -2.87 2.96 -0.14 3.99 0.08 -1.26 -4.80 117.98 115.94 3dws s PHE 32 Ca 0.04 1.21 -0.06 0.00 0.12 0.00 0.00 56.93 58.24 3dws s PHE 32 Cb 0.00 -3.79 -0.04 0.00 -0.57 0.00 0.00 43.02 38.62 3dws s PHE 32 CO -0.03 -2.38 0.08 0.08 -0.10 0.00 0.00 175.22 172.86 3dws s VAL 33 N -0.66 4.94 -0.14 -0.44 1.01 0.78 -4.89 120.40 120.99 3dws s VAL 33 Ca 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 3dws s VAL 33 Cb -0.42 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3dws s VAL 33 CO 0.51 0.54 0.11 -0.70 0.00 0.00 0.00 175.10 175.56 3dws s GLU 34 N -0.38 3.65 -0.32 2.72 2.12 -1.26 -1.27 118.70 123.96 3dws s GLU 34 Ca 0.10 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.23 3dws s GLU 34 Cb -0.12 -3.20 0.10 0.00 0.26 0.00 0.00 34.13 31.17 3dws s GLU 34 CO 0.02 0.58 0.06 0.34 -0.54 0.00 0.00 175.26 175.72 3dws s ASP 35 N -0.47 4.35 0.22 -1.70 2.15 0.25 -4.98 116.67 116.48 3dws s ASP 35 Ca 0.11 -1.83 -0.30 0.00 0.43 0.00 0.00 52.55 50.96 3dws s ASP 35 Cb -0.12 -1.24 -0.08 0.00 -0.30 0.00 0.00 42.92 41.18 3dws s ASP 35 CO 0.02 -0.38 0.94 -0.54 -0.17 0.00 0.00 175.17 175.04 3dws s LYS 36 N 1.27 4.83 0.05 4.34 1.02 -1.26 -1.39 119.74 128.60 3dws s LYS 36 Ca 0.09 1.48 -0.03 0.00 0.02 0.00 0.00 55.97 57.54 3dws s LYS 36 Cb -0.18 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 3dws s LYS 36 CO -0.16 0.46 0.02 1.67 -0.92 0.00 0.00 175.35 176.43 3dws s TRP 37 N -0.97 0.37 -0.19 3.18 1.48 -0.20 -4.99 118.94 117.62 3dws s TRP 37 Ca 0.42 -0.82 -0.02 0.00 -1.06 0.00 0.00 56.10 54.62 3dws s TRP 37 Cb -0.26 -0.27 0.06 0.00 -1.16 0.00 0.00 33.47 31.84 3dws s TRP 37 CO 0.32 -0.37 0.02 0.99 -4.06 0.00 0.00 176.95 173.85 3dws s THR 38 N -3.27 0.63 0.27 0.66 2.01 -1.26 -1.04 115.64 113.64 3dws s THR 38 Ca 0.01 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 3dws s THR 38 Cb 0.03 -1.10 -0.12 0.00 0.01 0.00 0.00 72.50 71.32 3dws s THR 38 CO -0.08 -0.18 1.57 -1.14 -0.69 0.00 0.00 174.62 174.11 3dws n ARG 39 N 5.01 2.57 -2.60 4.92 0.63 0.66 -4.92 116.66 122.94 3dws n ARG 39 Ca -0.09 0.92 -0.41 0.00 -0.92 0.00 0.00 57.85 57.34 3dws n ARG 39 Cb 0.47 -2.68 -0.03 0.00 0.45 0.00 0.00 32.46 30.67 3dws n ARG 39 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3dws s GLU 40 N -0.28 3.35 0.00 -0.14 2.02 -1.26 -3.24 118.70 119.15 3dws s GLU 40 Ca 0.66 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.96 3dws s GLU 40 Cb -0.53 -4.64 0.00 0.00 0.10 0.00 0.00 34.13 29.06 3dws s GLU 40 CO 0.47 -2.12 0.00 0.41 0.02 0.00 0.00 175.26 174.04 3dws n GLY 41 N 5.92 1.29 0.00 -1.39 0.00 -1.26 -5.10 105.19 104.65 3dws n GLY 41 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3dws n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 42 N 0.00 3.18 5.44 -0.02 0.00 -1.20 -4.72 105.19 107.87 3dws n GLY 42 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3dws n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 43 N 0.00 -0.89 0.00 -0.02 0.00 -1.26 -2.89 105.19 100.13 3dws n GLY 43 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3dws n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 44 N 0.00 -0.57 0.00 -0.02 0.00 -0.61 -0.24 105.19 103.74 3dws n GLY 44 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3dws n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 45 N 0.00 -0.50 2.99 -0.02 0.00 -0.20 -1.12 105.19 106.34 3dws n GLY 45 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 3dws n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dws s ARG 46 N -2.00 1.91 -0.33 1.61 0.52 0.22 -1.03 118.95 119.85 3dws s ARG 46 Ca 0.00 -0.96 -0.16 0.00 -0.52 0.00 0.00 55.73 54.10 3dws s ARG 46 Cb 0.00 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 3dws s ARG 46 CO 0.00 -0.50 0.40 0.99 0.02 0.00 0.00 175.30 176.21 3dws s THR 47 N 1.36 5.13 -0.24 0.02 2.01 -0.49 -0.66 115.64 122.77 3dws s THR 47 Ca -0.04 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 3dws s THR 47 Cb -0.18 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3dws s THR 47 CO -0.07 -0.08 0.07 -0.13 -0.69 0.00 0.00 174.62 173.72 3dws s ARG 48 N 2.12 3.68 0.00 4.92 0.52 -0.97 -0.58 118.95 128.64 3dws s ARG 48 Ca 0.14 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 3dws s ARG 48 Cb -0.16 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.00 3dws s ARG 48 CO 0.12 -0.14 0.00 1.33 0.02 0.00 0.00 175.30 176.63 3dws n VAL 49 N 4.77 0.00 0.00 3.52 0.24 -0.40 -0.55 118.33 125.91 3dws n VAL 49 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3dws n VAL 49 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3dws n VAL 49 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3dws n VAL 51 N 0.00 0.00 -3.71 3.34 3.14 -1.26 -0.16 118.33 119.68 3dws n VAL 51 Ca 0.00 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 3dws n VAL 51 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 3dws n VAL 51 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3dws n ASP 52 N 0.00 -3.12 -3.69 6.55 8.00 -0.18 -4.93 116.55 119.18 3dws n ASP 52 Ca 0.00 -0.74 -0.25 0.00 0.71 0.00 0.00 54.79 54.51 3dws n ASP 52 Cb 0.00 -4.31 0.17 0.00 -0.02 0.00 0.00 41.12 36.96 3dws n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dws n GLY 53 N -1.61 -1.33 0.22 0.44 0.00 -1.00 -4.82 105.19 97.09 3dws n GLY 53 Ca -0.15 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 3dws n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dws h ALA 54 N -1.75 0.61 0.00 4.61 0.00 -1.94 -3.41 119.26 117.38 3dws h ALA 54 Ca -0.37 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 53.93 3dws h ALA 54 Cb 1.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3dws h ALA 54 CO 0.27 0.69 -1.30 0.28 0.00 0.00 0.00 179.25 179.19 3dws n VAL 55 N -3.96 0.30 -3.60 0.00 0.31 -1.26 -4.86 118.33 105.26 3dws n VAL 55 Ca -0.04 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.77 3dws n VAL 55 Cb 0.63 -0.71 -0.09 0.00 -0.91 0.00 0.00 33.84 32.76 3dws n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3dws s ILE 56 N -2.11 4.10 0.15 2.52 1.01 -1.26 -0.62 121.20 124.99 3dws s ILE 56 Ca -0.07 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 58.79 3dws s ILE 56 Cb 0.02 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3dws s ILE 56 CO 0.13 -0.67 1.52 -0.08 0.00 0.00 0.00 174.94 175.84 3dws h GLU 57 N 8.39 0.93 -2.96 2.79 4.81 -1.61 -2.66 114.58 124.27 3dws h GLU 57 Ca -0.21 -0.42 -0.22 0.00 -0.13 0.00 0.00 59.36 58.38 3dws h GLU 57 Cb 1.07 -0.02 -0.32 0.00 0.63 0.00 0.00 28.75 30.11 3dws h GLU 57 CO 0.81 1.08 -0.54 0.21 -0.73 0.00 0.00 179.01 179.83 3dws s LYS 58 N -4.61 0.14 0.00 1.92 2.20 -0.95 -1.01 119.74 117.43 3dws s LYS 58 Ca -0.12 0.65 0.02 0.00 -0.36 0.00 0.00 55.97 56.16 3dws s LYS 58 Cb 0.11 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.32 3dws s LYS 58 CO 0.86 -0.25 -0.07 0.20 -0.36 0.00 0.00 175.35 175.73 3dws s GLY 59 N 2.05 0.38 -0.05 5.54 0.00 -1.26 -0.87 107.32 113.11 3dws s GLY 59 Ca -0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.30 3dws s GLY 59 CO -0.08 -0.35 0.05 -0.32 0.00 0.00 0.00 173.10 172.40 3dws s GLY 60 N -0.39 0.27 -0.31 0.20 0.00 -0.44 -4.29 107.32 102.37 3dws s GLY 60 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.85 3dws s GLY 60 CO -0.00 1.32 0.08 0.14 0.00 0.00 0.00 173.10 174.63 3dws s VAL 61 N 2.10 1.23 0.11 1.40 1.01 0.29 -1.26 120.40 125.28 3dws s VAL 61 Ca 0.05 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.46 3dws s VAL 61 Cb -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3dws s VAL 61 CO -0.04 -0.61 0.23 0.20 0.00 0.00 0.00 175.10 174.88 3dws s ASN 62 N 1.44 6.24 -0.04 3.32 0.01 -0.02 -2.28 114.94 123.61 3dws s ASN 62 Ca 0.09 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.46 3dws s ASN 62 Cb -0.18 -1.87 -0.00 0.00 0.41 0.00 0.00 41.25 39.61 3dws s ASN 62 CO -0.20 0.11 -0.15 0.12 -1.51 0.00 0.00 177.10 175.47 3dws s PHE 63 N -1.62 1.56 0.01 2.20 5.36 0.16 -2.17 117.98 123.48 3dws s PHE 63 Ca 0.34 -0.45 0.04 0.00 -0.96 0.00 0.00 56.93 55.90 3dws s PHE 63 Cb -0.12 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.48 3dws s PHE 63 CO 0.28 -0.16 -0.13 -1.12 -1.46 0.00 0.00 175.22 172.62 3dws s SER 64 N 0.11 1.53 -0.30 6.13 0.01 -0.68 -0.61 113.70 119.89 3dws s SER 64 Ca -0.04 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 3dws s SER 64 Cb -0.11 -0.13 0.10 0.00 0.21 0.00 0.00 66.02 66.09 3dws s SER 64 CO 0.02 0.09 0.12 -2.28 0.41 0.00 0.00 173.24 171.60 3dws s HIS 65 N -0.57 0.84 0.07 2.43 5.04 -0.27 -1.55 115.29 121.27 3dws s HIS 65 Ca 0.03 -1.22 0.04 0.00 -1.54 0.00 0.00 55.06 52.36 3dws s HIS 65 Cb -0.06 -1.20 -0.04 0.00 0.04 0.00 0.00 32.58 31.32 3dws s HIS 65 CO 0.00 -0.85 0.03 0.14 -2.34 0.00 0.00 174.74 171.73 3dws s VAL 66 N 1.88 4.26 -0.21 0.89 -7.23 0.62 -1.58 120.40 119.02 3dws s VAL 66 Ca 0.10 -0.83 -0.25 0.00 -1.81 0.00 0.00 61.98 59.18 3dws s VAL 66 Cb -0.17 -3.02 0.07 0.00 0.56 0.00 0.00 36.38 33.82 3dws s VAL 66 CO -0.31 0.16 0.68 -0.72 -0.31 0.00 0.00 175.10 174.60 3dws s TYR 67 N -1.31 -0.72 0.34 2.82 -0.85 -1.14 -0.72 117.35 115.76 3dws s TYR 67 Ca 0.26 1.66 -0.15 0.00 -0.52 0.00 0.00 57.07 58.32 3dws s TYR 67 Cb -0.12 0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.54 3dws s TYR 67 CO 0.19 -0.41 0.70 0.20 -1.52 0.00 0.00 175.55 174.70 3dws s GLY 68 N 0.02 0.40 -0.45 5.49 0.00 -0.97 -4.00 107.32 107.81 3dws s GLY 68 Ca -0.02 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.77 3dws s GLY 68 CO 0.03 -0.37 0.55 0.54 0.00 0.00 0.00 173.10 173.85 3dws s LYS 69 N -3.04 3.16 0.15 2.90 1.02 -1.26 -1.66 119.74 121.00 3dws s LYS 69 Ca 0.17 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3dws s LYS 69 Cb -0.04 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 3dws s LYS 69 CO 0.11 -1.00 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 3dws n GLY 70 N 5.10 -3.40 3.76 -3.33 0.00 0.19 -4.97 105.19 102.54 3dws n GLY 70 Ca -0.05 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3dws n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dws s LEU 71 N -2.53 2.35 0.00 0.99 1.43 -0.23 -4.90 118.68 115.79 3dws s LEU 71 Ca 0.00 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 3dws s LEU 71 Cb 0.00 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.37 3dws s LEU 71 CO 0.00 -2.37 0.00 -0.81 0.23 0.00 0.00 176.35 173.40 3dws n PRO 72 N -3.70 0.00 -0.01 1.29 -0.04 -1.26 -4.93 135.00 126.34 3dws n PRO 72 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3dws n PRO 72 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3dws n PRO 72 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dws n SER 74 N 0.00 0.00 -0.30 3.54 3.41 -1.26 -3.85 113.62 115.15 3dws n SER 74 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 3dws n SER 74 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3dws n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dws n SER 75 N 0.00 1.45 -3.86 4.04 7.64 -1.26 -4.63 113.62 117.00 3dws n SER 75 Ca 0.00 -1.22 -0.42 0.00 1.01 0.00 0.00 58.87 58.23 3dws n SER 75 Cb 0.00 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3dws n SER 75 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3dws n THR 76 N -0.27 4.02 0.00 0.44 -1.04 -1.25 -2.64 114.28 113.54 3dws n THR 76 Ca 0.06 -3.91 0.00 0.00 -2.04 0.00 0.00 64.05 58.16 3dws n THR 76 Cb 0.30 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 3dws n THR 76 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3dws n GLU 77 N 4.84 0.00 -0.02 -2.82 0.28 -1.26 -4.85 120.64 116.82 3dws n GLU 77 Ca 0.44 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.51 3dws n GLU 77 Cb 0.38 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.11 3dws n GLU 77 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3dws n ARG 78 N -1.69 0.65 -3.25 3.44 0.63 -1.26 -4.76 116.66 110.42 3dws n ARG 78 Ca 0.00 -0.14 -0.25 0.00 -0.92 0.00 0.00 57.85 56.54 3dws n ARG 78 Cb 0.00 -1.42 -0.07 0.00 0.45 0.00 0.00 32.46 31.41 3dws n ARG 78 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3dws n HIS 79 N -2.19 0.15 0.07 -0.14 8.25 -1.08 -4.95 115.22 115.33 3dws n HIS 79 Ca -0.07 -3.63 -0.17 0.00 -0.26 0.00 0.00 57.72 53.60 3dws n HIS 79 Cb 0.55 -0.33 -0.09 0.00 1.12 0.00 0.00 29.99 31.25 3dws n HIS 79 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3dws h PRO 80 N 4.19 0.52 0.00 -0.41 0.13 -1.86 -3.30 132.00 131.26 3dws h PRO 80 Ca 0.11 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3dws h PRO 80 Cb 0.85 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3dws h PRO 80 CO 0.50 1.23 0.00 -0.40 -0.23 0.00 0.00 178.00 179.10 3dws n ASP 81 N -3.76 0.63 -1.91 1.44 3.85 -1.26 -2.58 116.55 112.96 3dws n ASP 81 Ca -0.09 0.74 -0.10 0.00 -0.71 0.00 0.00 54.79 54.63 3dws n ASP 81 Cb 0.90 -0.84 0.06 0.00 -1.35 0.00 0.00 41.12 39.89 3dws n ASP 81 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 3dws n ILE 82 N -2.29 1.90 0.27 2.12 -6.64 -1.25 -4.81 119.36 108.66 3dws n ILE 82 Ca -0.00 -3.39 0.12 0.00 -1.77 0.00 0.00 62.75 57.70 3dws n ILE 82 Cb 0.11 -0.14 0.11 0.00 -1.44 0.00 0.00 39.64 38.28 3dws n ILE 82 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3dws h ALA 83 N 1.95 0.70 -0.01 -1.28 0.00 -1.58 -3.28 119.26 115.76 3dws h ALA 83 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dws h ALA 83 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3dws h ALA 83 CO 0.41 0.00 -0.65 0.41 0.00 0.00 0.00 179.25 179.41 3dws n GLY 84 N 1.20 -0.64 3.75 0.00 0.00 -1.26 -1.07 105.19 107.17 3dws n GLY 84 Ca 0.02 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3dws n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dws s ASN 86 N -2.17 6.93 0.24 0.00 0.01 -1.25 -0.64 114.94 118.06 3dws s ASN 86 Ca 0.71 2.29 0.10 0.00 -0.71 0.00 0.00 52.86 55.26 3dws s ASN 86 Cb -0.25 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.77 3dws s ASN 86 CO 0.40 -0.54 -0.18 0.72 -1.51 0.00 0.00 177.10 175.99 3dws s PHE 87 N 0.55 2.03 -0.05 2.20 -0.71 -0.66 -1.25 117.98 120.10 3dws s PHE 87 Ca 0.59 -0.44 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 3dws s PHE 87 Cb -0.35 -0.91 0.02 0.00 -1.21 0.00 0.00 43.02 40.58 3dws s PHE 87 CO 0.34 0.55 -0.02 -1.21 -1.34 0.00 0.00 175.22 173.54 3dws s GLU 88 N -3.53 0.63 0.15 1.99 2.02 0.12 -2.29 118.70 117.79 3dws s GLU 88 Ca 0.26 -0.01 0.05 0.00 0.02 0.00 0.00 54.97 55.29 3dws s GLU 88 Cb -0.03 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.39 3dws s GLU 88 CO 0.11 -0.14 -0.11 0.00 0.02 0.00 0.00 175.26 175.14 3dws s ALA 89 N 1.16 1.48 0.00 5.21 0.00 0.10 0.08 121.76 129.79 3dws s ALA 89 Ca -0.08 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3dws s ALA 89 Cb -0.14 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3dws s ALA 89 CO -0.01 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3dws n GLY 91 N -0.10 3.41 3.31 0.00 0.00 -0.60 -0.28 105.19 110.93 3dws n GLY 91 Ca -0.11 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 3dws n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dws s VAL 92 N -2.00 2.31 -0.01 1.61 1.01 0.77 -1.68 120.40 122.42 3dws s VAL 92 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3dws s VAL 92 Cb 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3dws s VAL 92 CO 0.00 0.57 -0.00 -0.94 0.00 0.00 0.00 175.10 174.73 3dws s SER 93 N -0.18 0.17 0.01 3.32 1.04 -0.92 -1.05 113.70 116.09 3dws s SER 93 Ca -0.02 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 3dws s SER 93 Cb -0.14 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 3dws s SER 93 CO 0.04 -0.04 0.03 -1.48 0.98 0.00 0.00 173.24 172.76 3dws s LEU 94 N 0.41 1.99 -0.04 2.42 0.05 0.03 -0.84 118.68 122.70 3dws s LEU 94 Ca -0.04 -0.33 0.01 0.00 0.05 0.00 0.00 54.13 53.83 3dws s LEU 94 Cb -0.06 0.26 0.02 0.00 -2.05 0.00 0.00 46.19 44.36 3dws s LEU 94 CO -0.01 -0.27 -0.04 -0.69 -0.55 0.00 0.00 176.35 174.79 3dws s VAL 95 N -1.20 0.44 -0.14 1.48 1.01 -0.39 -2.04 120.40 119.57 3dws s VAL 95 Ca -0.13 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3dws s VAL 95 Cb -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3dws s VAL 95 CO -0.00 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 174.47 3dws s ILE 96 N 0.83 2.33 -0.36 2.22 -1.09 0.64 -1.33 121.20 124.45 3dws s ILE 96 Ca -0.10 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.44 3dws s ILE 96 Cb -0.13 -1.95 0.10 0.00 -1.58 0.00 0.00 42.46 38.90 3dws s ILE 96 CO -0.00 0.54 0.10 -1.00 -1.23 0.00 0.00 174.94 173.35 3dws s HIS 97 N 0.71 3.69 0.49 3.97 3.76 -0.05 -1.24 115.29 126.62 3dws s HIS 97 Ca -0.09 -2.77 -0.21 0.00 -0.15 0.00 0.00 55.06 51.84 3dws s HIS 97 Cb -0.16 -3.00 -0.07 0.00 1.11 0.00 0.00 32.58 30.46 3dws s HIS 97 CO 0.01 -0.95 1.14 -2.14 -0.85 0.00 0.00 174.74 171.94 3dws s PRO 98 N 1.00 3.62 0.13 8.40 0.02 -1.26 -1.84 135.00 145.06 3dws s PRO 98 Ca 0.09 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.61 3dws s PRO 98 Cb -0.20 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.04 3dws s PRO 98 CO -0.06 -0.64 1.76 -0.22 -0.33 0.00 0.00 177.00 177.51 3dws h LYS 99 N 1.71 0.39 -6.41 5.54 3.64 -1.17 -3.42 116.57 116.86 3dws h LYS 99 Ca -0.50 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.31 3dws h LYS 99 Cb 1.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3dws h LYS 99 CO 0.59 0.30 0.61 1.21 -2.27 0.00 0.00 179.45 179.89 3dws s ASN 100 N -5.51 7.08 0.54 4.20 3.84 -1.26 -4.94 114.94 118.89 3dws s ASN 100 Ca -0.13 1.91 0.30 0.00 0.21 0.00 0.00 52.86 55.14 3dws s ASN 100 Cb 0.09 -2.57 1.54 0.00 -0.55 0.00 0.00 41.25 39.77 3dws s ASN 100 CO 0.71 -0.51 2.10 -0.65 -2.79 0.00 0.00 177.10 175.96 3dws h PRO 101 N 7.10 0.00 0.00 0.43 0.11 -1.92 -2.37 132.00 135.35 3dws h PRO 101 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3dws h PRO 101 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dws h PRO 101 CO 0.84 0.09 0.00 0.72 -0.21 0.00 0.00 178.00 179.44 3dws n HIS 102 N -3.55 0.00 -3.64 0.65 8.25 -1.26 -3.52 115.22 112.15 3dws n HIS 102 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 3dws n HIS 102 Cb 0.22 -0.23 -0.11 0.00 1.12 0.00 0.00 29.99 30.99 3dws n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dws s VAL 103 N -2.46 5.06 0.56 1.59 1.01 -0.89 -4.82 120.40 120.44 3dws s VAL 103 Ca 0.32 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 3dws s VAL 103 Cb 0.20 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3dws s VAL 103 CO 0.44 0.28 1.22 -2.84 0.00 0.00 0.00 175.10 174.20 3dws s PRO 104 N 1.65 3.16 0.53 2.72 0.02 -1.26 -4.58 135.00 137.24 3dws s PRO 104 Ca 0.07 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 62.76 3dws s PRO 104 Cb -0.16 -2.08 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 3dws s PRO 104 CO 0.09 -1.07 1.19 0.99 -0.33 0.00 0.00 177.00 177.86 3dws s THR 105 N -1.54 2.87 0.15 0.99 2.01 0.17 -4.56 115.64 115.73 3dws s THR 105 Ca 0.74 0.59 -0.04 0.00 0.31 0.00 0.00 61.69 63.29 3dws s THR 105 Cb -0.32 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3dws s THR 105 CO 0.36 -0.07 0.14 -0.94 -0.69 0.00 0.00 174.62 173.41 3dws s SER 106 N -1.50 0.21 -0.06 3.53 1.04 -0.37 -0.40 113.70 116.14 3dws s SER 106 Ca 0.71 -1.12 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 3dws s SER 106 Cb -0.29 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3dws s SER 106 CO 0.33 -0.79 0.26 -2.28 0.98 0.00 0.00 173.24 171.73 3dws s HIS 107 N -4.03 -0.21 0.09 5.02 5.65 -0.93 -0.26 115.29 120.61 3dws s HIS 107 Ca 0.23 0.48 -0.13 0.00 0.25 0.00 0.00 55.06 55.90 3dws s HIS 107 Cb 0.06 0.08 0.02 0.00 -1.18 0.00 0.00 32.58 31.55 3dws s HIS 107 CO 0.02 -0.22 0.29 0.00 -0.65 0.00 0.00 174.74 174.18 3dws s ALA 108 N -0.44 -0.59 -0.26 1.58 0.00 -0.86 -1.10 121.76 120.09 3dws s ALA 108 Ca -0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.49 3dws s ALA 108 Cb -0.04 0.50 0.08 0.00 0.00 0.00 0.00 23.12 23.66 3dws s ALA 108 CO 0.01 -0.52 0.66 1.21 0.00 0.00 0.00 175.76 177.12 3dws s ASN 109 N -2.59 -0.86 -0.04 0.00 3.04 -0.48 -0.79 114.94 113.22 3dws s ASN 109 Ca 0.01 1.42 0.01 0.00 0.04 0.00 0.00 52.86 54.34 3dws s ASN 109 Cb 0.02 1.32 0.02 0.00 -1.54 0.00 0.00 41.25 41.07 3dws s ASN 109 CO -0.09 -0.23 -0.04 0.68 -3.04 0.00 0.00 177.10 174.38 3dws s VAL 110 N 1.37 0.50 0.10 -5.21 -7.23 -0.22 -0.65 120.40 109.06 3dws s VAL 110 Ca -0.08 -0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.92 3dws s VAL 110 Cb -0.05 -0.53 -0.01 0.00 0.56 0.00 0.00 36.38 36.35 3dws s VAL 110 CO -0.15 0.21 0.16 0.00 -0.31 0.00 0.00 175.10 175.02 3dws s ARG 111 N 0.90 0.87 -0.01 4.82 1.70 -0.72 -0.16 118.95 126.36 3dws s ARG 111 Ca -0.11 -1.07 0.01 0.00 -0.47 0.00 0.00 55.73 54.09 3dws s ARG 111 Cb -0.14 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 3dws s ARG 111 CO 0.00 -0.27 -0.04 -1.17 -1.08 0.00 0.00 175.30 172.74 3dws s LEU 112 N -2.90 1.82 -0.03 -1.89 2.96 -1.26 -2.18 118.68 115.20 3dws s LEU 112 Ca 0.09 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 3dws s LEU 112 Cb 0.05 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.48 3dws s LEU 112 CO -0.08 0.02 -0.23 0.12 -1.32 0.00 0.00 176.35 174.86 3dws s PHE 113 N 0.15 2.42 -0.02 5.38 5.36 -0.61 -4.21 117.98 126.45 3dws s PHE 113 Ca -0.01 -0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 55.57 3dws s PHE 113 Cb -0.05 -1.53 0.02 0.00 -0.34 0.00 0.00 43.02 41.12 3dws s PHE 113 CO -0.00 0.01 0.04 0.08 -1.46 0.00 0.00 175.22 173.89 3dws s VAL 114 N -0.64 -0.03 -0.27 3.12 1.01 0.11 -1.79 120.40 121.91 3dws s VAL 114 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.20 3dws s VAL 114 Cb -0.10 -0.08 0.07 0.00 0.00 0.00 0.00 36.38 36.27 3dws s VAL 114 CO -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 175.10 175.11 3dws s ALA 115 N 0.54 2.25 0.09 5.51 0.00 0.43 0.13 121.76 130.70 3dws s ALA 115 Ca -0.04 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 49.86 3dws s ALA 115 Cb -0.06 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 3dws s ALA 115 CO -0.02 -1.37 1.13 -1.83 0.00 0.00 0.00 175.76 173.68 3dws s GLU 116 N 1.25 4.50 -0.02 0.00 -1.05 -0.38 -2.18 118.70 120.82 3dws s GLU 116 Ca -0.01 1.70 0.07 0.00 -0.15 0.00 0.00 54.97 56.58 3dws s GLU 116 Cb -0.19 -3.34 -0.02 0.00 -0.44 0.00 0.00 34.13 30.14 3dws s GLU 116 CO -0.09 -0.12 -0.23 1.03 0.95 0.00 0.00 175.26 176.81 3dws s ARG 117 N 0.59 1.90 -0.29 -4.83 0.52 -1.26 -3.93 118.95 111.65 3dws s ARG 117 Ca 0.55 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.65 3dws s ARG 117 Cb -0.28 -1.80 -0.00 0.00 0.52 0.00 0.00 34.95 33.38 3dws s ARG 117 CO 0.31 0.47 1.31 -1.83 0.02 0.00 0.00 175.30 175.58 3dws s GLU 118 N -0.48 3.92 0.00 3.54 -1.05 -1.26 -3.81 118.70 119.56 3dws s GLU 118 Ca 0.07 1.28 0.00 0.00 -0.15 0.00 0.00 54.97 56.17 3dws s GLU 118 Cb -0.09 -3.88 0.00 0.00 -0.44 0.00 0.00 34.13 29.72 3dws s GLU 118 CO -0.00 -1.11 0.00 0.41 0.95 0.00 0.00 175.26 175.50 3dws n GLY 119 N 4.30 2.03 3.88 -3.83 0.00 -1.26 -4.99 105.19 105.31 3dws n GLY 119 Ca 0.15 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3dws n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dws s LYS 120 N 0.00 3.78 0.68 1.61 3.01 -1.25 -5.06 119.74 122.51 3dws s LYS 120 Ca 0.00 0.38 -0.17 0.00 -1.01 0.00 0.00 55.97 55.17 3dws s LYS 120 Cb 0.00 -2.47 -0.00 0.00 -1.01 0.00 0.00 37.83 34.35 3dws s LYS 120 CO 0.00 0.08 1.19 -0.85 0.51 0.00 0.00 175.35 176.28 3dws n GLU 121 N -0.97 0.87 -1.94 1.68 0.00 -1.26 -4.45 120.64 114.56 3dws n GLU 121 Ca 0.02 0.35 -0.35 0.00 0.00 0.00 0.00 57.16 57.18 3dws n GLU 121 Cb 0.54 -2.42 0.04 0.00 0.00 0.00 0.00 31.44 29.59 3dws n GLU 121 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3dws s PRO 122 N -3.38 2.92 0.06 3.44 0.04 -1.26 -4.63 135.00 132.19 3dws s PRO 122 Ca 0.79 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.38 3dws s PRO 122 Cb -0.37 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 3dws s PRO 122 CO 0.44 -1.21 0.43 0.14 0.04 0.00 0.00 177.00 176.84 3dws s VAL 123 N -1.85 5.03 0.06 -0.36 -7.23 -0.93 -4.96 120.40 110.17 3dws s VAL 123 Ca 0.74 0.66 -0.24 0.00 -1.81 0.00 0.00 61.98 61.32 3dws s VAL 123 Cb -0.26 -3.69 0.06 0.00 0.56 0.00 0.00 36.38 33.05 3dws s VAL 123 CO 0.35 0.39 0.58 -1.66 -0.31 0.00 0.00 175.10 174.44 3dws s TRP 124 N -1.29 -0.51 0.10 2.82 1.48 -1.26 -0.43 118.94 119.86 3dws s TRP 124 Ca 0.30 0.55 -0.23 0.00 -1.06 0.00 0.00 56.10 55.67 3dws s TRP 124 Cb -0.15 0.42 0.06 0.00 -1.16 0.00 0.00 33.47 32.64 3dws s TRP 124 CO 0.17 -0.70 0.56 1.67 -4.06 0.00 0.00 176.95 174.58 3dws s TRP 125 N -2.64 -0.47 0.35 1.66 -2.14 -0.74 -4.64 118.94 110.32 3dws s TRP 125 Ca -0.04 0.40 0.07 0.00 2.66 0.00 0.00 56.10 59.19 3dws s TRP 125 Cb -0.01 0.44 -0.02 0.00 -3.10 0.00 0.00 33.47 30.79 3dws s TRP 125 CO -0.03 -0.75 0.40 -0.06 -2.66 0.00 0.00 176.95 173.85 3dws s PHE 126 N -3.12 2.94 0.11 1.66 0.40 -0.49 -1.57 117.98 117.91 3dws s PHE 126 Ca -0.02 -0.31 -0.25 0.00 -0.60 0.00 0.00 56.93 55.75 3dws s PHE 126 Cb -0.00 -1.98 0.07 0.00 0.51 0.00 0.00 43.02 41.62 3dws s PHE 126 CO -0.07 0.01 0.82 0.20 0.70 0.00 0.00 175.22 176.88 3dws s GLY 127 N -4.12 -0.39 0.00 4.36 0.00 -0.93 -1.46 107.32 104.79 3dws s GLY 127 Ca 0.45 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.66 3dws s GLY 127 CO 0.29 0.15 0.00 0.61 0.00 0.00 0.00 173.10 174.16 3dws n GLY 128 N -0.36 0.44 0.00 0.20 0.00 0.64 -1.75 105.19 104.36 3dws n GLY 128 Ca -0.09 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3dws n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 129 N 0.00 0.43 3.19 -0.02 0.00 0.18 -1.00 105.19 107.97 3dws n GLY 129 Ca 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 3dws n GLY 129 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dws s PHE 130 N -0.57 0.10 0.10 1.61 -0.12 -0.35 -1.38 117.98 117.38 3dws s PHE 130 Ca 0.00 -0.42 -0.17 0.00 -0.05 0.00 0.00 56.93 56.30 3dws s PHE 130 Cb 0.00 -0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.38 3dws s PHE 130 CO 0.00 -0.48 0.40 0.16 -0.05 0.00 0.00 175.22 175.25 3dws s ASP 131 N -2.43 -0.25 -0.14 1.98 1.47 -0.25 -0.06 116.67 116.98 3dws s ASP 131 Ca -0.01 -0.22 0.01 0.00 1.18 0.00 0.00 52.55 53.51 3dws s ASP 131 Cb 0.02 0.46 -0.01 0.00 -0.34 0.00 0.00 42.92 43.04 3dws s ASP 131 CO -0.07 -0.79 -0.15 -0.22 0.68 0.00 0.00 175.17 174.62 3dws s LEU 132 N -2.54 2.54 -0.60 2.11 2.96 -0.77 -2.18 118.68 120.21 3dws s LEU 132 Ca 0.00 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3dws s LEU 132 Cb 0.01 -1.57 0.15 0.00 0.50 0.00 0.00 46.19 45.28 3dws s LEU 132 CO -0.09 0.13 0.36 -0.89 -1.32 0.00 0.00 176.35 174.55 3dws s THR 133 N 0.53 2.83 0.67 3.68 2.01 0.47 -0.91 115.64 124.93 3dws s THR 133 Ca -0.10 -3.60 -0.11 0.00 0.31 0.00 0.00 61.69 58.19 3dws s THR 133 Cb -0.16 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 3dws s THR 133 CO 0.04 -0.88 1.07 -2.16 -0.69 0.00 0.00 174.62 172.00 3dws s PRO 134 N -0.66 3.14 -0.08 4.92 0.04 -1.26 -0.65 135.00 140.44 3dws s PRO 134 Ca 0.20 0.59 -0.06 0.00 0.04 0.00 0.00 61.00 61.76 3dws s PRO 134 Cb -0.19 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3dws s PRO 134 CO -0.06 -0.86 -0.15 0.66 0.04 0.00 0.00 177.00 176.64 3dws n TYR 135 N -2.91 0.00 -3.72 0.56 4.01 -1.26 -4.84 117.16 108.99 3dws n TYR 135 Ca 0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.45 3dws n TYR 135 Cb 0.56 -0.34 -0.09 0.00 -0.31 0.00 0.00 39.34 39.16 3dws n TYR 135 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3dws s TYR 136 N -2.26 3.57 0.41 -0.72 2.02 -1.23 -4.80 117.35 114.35 3dws s TYR 136 Ca -0.15 -2.92 -0.24 0.00 -0.37 0.00 0.00 57.07 53.40 3dws s TYR 136 Cb 0.05 -3.14 -0.08 0.00 -0.40 0.00 0.00 41.96 38.38 3dws s TYR 136 CO 0.19 -0.77 1.10 0.00 -1.57 0.00 0.00 175.55 174.51 3dws s ALA 137 N -0.68 3.08 -0.08 3.71 0.00 -1.26 -4.82 121.76 121.70 3dws s ALA 137 Ca 0.21 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 3dws s ALA 137 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3dws s ALA 137 CO -0.08 -0.38 -0.06 0.08 0.00 0.00 0.00 175.76 175.33 3dws s VAL 138 N -1.57 3.78 0.14 0.00 1.01 -1.26 -5.05 120.40 117.44 3dws s VAL 138 Ca 0.59 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 3dws s VAL 138 Cb -0.25 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3dws s VAL 138 CO 0.32 0.59 1.61 -0.08 0.00 0.00 0.00 175.10 177.54 3dws h GLU 139 N 5.44 -0.37 -1.00 2.72 4.57 -2.01 -2.97 114.58 120.96 3dws h GLU 139 Ca -0.46 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 57.88 3dws h GLU 139 Cb 1.18 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.76 3dws h GLU 139 CO 0.54 -0.25 0.63 1.49 -1.18 0.00 0.00 179.01 180.24 3dws h GLU 140 N -0.38 0.91 -0.56 1.92 4.81 -2.00 -1.55 114.58 117.73 3dws h GLU 140 Ca 0.10 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3dws h GLU 140 Cb 0.53 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3dws h GLU 140 CO -0.34 0.60 0.06 -0.44 -0.73 0.00 0.00 179.01 178.16 3dws h ASP 141 N 0.93 0.91 0.02 1.04 3.32 -1.97 -1.41 116.42 119.26 3dws h ASP 141 Ca 0.51 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3dws h ASP 141 Cb 0.59 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3dws h ASP 141 CO -0.28 0.96 -0.01 0.00 -1.72 0.00 0.00 179.24 178.19 3dws h ARG 143 N -0.16 -0.04 0.39 0.00 3.08 -1.37 -2.07 114.38 114.20 3dws h ARG 143 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3dws h ARG 143 Cb 0.15 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3dws h ARG 143 CO 0.00 -0.03 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.20 3dws h ASP 144 N -0.04 -0.58 -0.95 7.04 5.19 -1.22 0.13 116.42 125.99 3dws h ASP 144 Ca 0.13 0.03 0.26 0.00 -0.62 0.00 0.00 57.03 56.84 3dws h ASP 144 Cb 0.24 0.17 -0.13 0.00 0.18 0.00 0.00 39.33 39.79 3dws h ASP 144 CO -0.29 -0.37 0.46 0.15 -3.12 0.00 0.00 179.24 176.06 3dws h PHE 145 N -0.59 0.76 0.19 4.55 3.57 -1.10 0.09 116.94 124.40 3dws h PHE 145 Ca -0.04 0.04 -0.30 0.00 3.53 0.00 0.00 57.97 61.19 3dws h PHE 145 Cb 0.49 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.06 3dws h PHE 145 CO -0.09 -0.09 -1.35 0.45 -2.23 0.00 0.00 178.31 175.00 3dws h HIS 146 N 0.38 0.71 -0.86 0.41 3.86 -0.90 -3.05 115.15 115.71 3dws h HIS 146 Ca 0.63 -0.52 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3dws h HIS 146 Cb 1.29 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.69 3dws h HIS 146 CO -0.09 1.41 0.55 0.37 0.86 0.00 0.00 177.93 181.02 3dws h GLN 147 N 0.11 1.14 -0.76 2.45 5.75 0.14 0.63 115.11 124.56 3dws h GLN 147 Ca -0.19 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.17 3dws h GLN 147 Cb 2.06 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 30.33 3dws h GLN 147 CO 0.24 0.77 0.25 0.28 -2.65 0.00 0.00 178.83 177.71 3dws h VAL 148 N 1.17 1.26 -0.29 2.39 2.07 -1.04 0.35 116.25 122.16 3dws h VAL 148 Ca 0.31 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3dws h VAL 148 Cb -0.11 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3dws h VAL 148 CO -0.06 0.36 -0.07 0.00 0.02 0.00 0.00 177.57 177.82 3dws h ALA 149 N 1.13 0.39 -0.72 1.67 0.00 -1.31 -2.45 119.26 117.98 3dws h ALA 149 Ca 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3dws h ALA 149 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3dws h ALA 149 CO -0.01 0.21 0.32 0.37 0.00 0.00 0.00 179.25 180.14 3dws h GLN 150 N 0.31 1.04 -0.42 0.00 4.15 0.77 -2.66 115.11 118.31 3dws h GLN 150 Ca 0.07 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.20 3dws h GLN 150 Cb 0.55 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3dws h GLN 150 CO 0.03 0.82 -0.26 -0.44 -1.93 0.00 0.00 178.83 177.05 3dws h ASP 151 N 1.03 0.95 0.57 -0.69 3.32 -0.31 -2.23 116.42 119.07 3dws h ASP 151 Ca 0.25 -0.42 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 3dws h ASP 151 Cb 0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3dws h ASP 151 CO -0.03 1.17 -0.48 0.17 -1.72 0.00 0.00 179.24 178.35 3dws h LEU 152 N 0.74 0.00 -0.02 1.55 8.10 -1.33 -3.20 115.31 121.14 3dws h LEU 152 Ca 0.09 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.88 3dws h LEU 152 Cb 0.84 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.07 3dws h LEU 152 CO 0.07 0.48 -0.75 0.00 -4.11 0.00 0.00 178.44 174.14 3dws n LYS 154 N -4.08 -0.14 0.30 0.00 4.81 -0.85 0.75 118.16 118.95 3dws n LYS 154 Ca -0.10 0.75 0.16 0.00 -0.87 0.00 0.00 58.31 58.25 3dws n LYS 154 Cb 0.74 -1.11 0.82 0.00 0.02 0.00 0.00 35.03 35.50 3dws n LYS 154 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3dws h PRO 155 N 0.00 0.00 0.00 1.64 0.13 -1.79 -0.22 132.00 131.77 3dws h PRO 155 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3dws h PRO 155 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 3dws h PRO 155 CO -0.31 0.00 -0.33 0.74 -0.23 0.00 0.00 178.00 177.87 3dws h PHE 156 N 0.00 0.00 0.00 1.56 0.04 0.06 -3.49 116.94 115.12 3dws h PHE 156 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3dws h PHE 156 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 3dws h PHE 156 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3dws n GLY 157 N 1.24 4.16 0.36 -1.45 0.00 -0.09 -4.94 105.19 104.47 3dws n GLY 157 Ca 0.04 -0.88 0.18 0.00 0.00 0.00 0.00 46.02 45.36 3dws n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dws h ALA 158 N 0.00 2.03 -0.07 4.61 0.00 -1.91 -2.67 119.26 121.25 3dws h ALA 158 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dws h ALA 158 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dws h ALA 158 CO 0.00 -0.45 0.00 -0.25 0.00 0.00 0.00 179.25 178.55 3dws n ASP 159 N -3.91 2.04 0.10 0.00 8.00 -1.26 -4.70 116.55 116.81 3dws n ASP 159 Ca 0.05 -1.53 -0.13 0.00 0.71 0.00 0.00 54.79 53.88 3dws n ASP 159 Cb 0.45 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 3dws n ASP 159 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3dws h VAL 160 N 2.00 0.93 -0.47 2.53 2.07 -1.82 -1.95 116.25 119.54 3dws h VAL 160 Ca 0.00 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3dws h VAL 160 Cb 0.48 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3dws h VAL 160 CO 0.00 0.09 0.29 0.22 0.02 0.00 0.00 177.57 178.18 3dws h TYR 161 N -0.38 0.54 -0.68 1.57 3.20 -1.84 -2.10 116.97 117.28 3dws h TYR 161 Ca -0.02 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3dws h TYR 161 Cb 0.30 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3dws h TYR 161 CO -0.01 0.32 0.36 0.00 -1.64 0.00 0.00 178.16 177.19 3dws h ALA 162 N 1.20 0.92 0.31 1.82 0.00 -1.83 0.24 119.26 121.92 3dws h ALA 162 Ca 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3dws h ALA 162 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dws h ALA 162 CO -0.07 0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.04 3dws h ARG 163 N 0.66 -0.40 0.00 0.00 3.08 -1.06 -1.62 114.38 115.03 3dws h ARG 163 Ca 0.31 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.29 3dws h ARG 163 Cb 0.24 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3dws h ARG 163 CO -0.21 -0.11 -0.48 0.74 -1.07 0.00 0.00 179.97 178.84 3dws h PHE 164 N -0.68 0.00 -0.33 3.04 0.04 -1.20 0.26 116.94 118.07 3dws h PHE 164 Ca -0.04 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.57 3dws h PHE 164 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 3dws h PHE 164 CO 0.01 0.48 -0.43 -0.22 -0.60 0.00 0.00 178.31 177.55 3dws h LYS 165 N 0.00 0.87 -0.32 1.51 3.11 -0.63 -0.76 116.57 120.35 3dws h LYS 165 Ca -0.00 -0.50 -0.03 0.00 -2.81 0.00 0.00 60.65 57.31 3dws h LYS 165 Cb 1.35 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.61 3dws h LYS 165 CO 0.06 1.14 0.08 0.78 -2.81 0.00 0.00 179.45 178.70 3dws h GLY 166 N 0.66 0.54 0.86 5.01 0.00 -0.95 -2.84 103.07 106.35 3dws h GLY 166 Ca 0.04 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.07 3dws h GLY 166 CO 0.10 0.31 0.65 -0.25 0.00 0.00 0.00 176.54 177.36 3dws h TRP 167 N 0.35 1.23 -0.99 5.60 2.91 -0.55 -1.91 115.95 122.59 3dws h TRP 167 Ca 0.10 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.20 3dws h TRP 167 Cb 0.29 -0.41 -0.06 0.00 -0.51 0.00 0.00 29.16 28.47 3dws h TRP 167 CO 0.01 0.70 0.64 0.00 -1.03 0.00 0.00 178.44 178.77 3dws h ASP 169 N 1.22 0.82 -0.23 0.00 3.32 -1.14 -1.49 116.42 118.91 3dws h ASP 169 Ca 0.41 -0.43 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 3dws h ASP 169 Cb 0.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3dws h ASP 169 CO -0.14 1.20 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.79 3dws h GLU 170 N 0.57 0.71 0.00 3.56 5.08 -0.96 -3.37 114.58 120.16 3dws h GLU 170 Ca 0.01 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3dws h GLU 170 Cb 1.12 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3dws h GLU 170 CO 0.11 1.08 0.00 0.98 -1.00 0.00 0.00 179.01 180.18 3dws n TYR 171 N -4.17 0.00 -1.57 4.33 9.36 0.15 -4.18 117.16 121.08 3dws n TYR 171 Ca -0.05 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.78 3dws n TYR 171 Cb 0.57 -0.35 -0.05 0.00 -0.63 0.00 0.00 39.34 38.87 3dws n TYR 171 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3dws n PHE 172 N -1.56 2.44 -3.76 2.98 3.72 -0.56 -4.77 117.46 115.95 3dws n PHE 172 Ca 0.00 -1.85 -0.12 0.00 -0.05 0.00 0.00 57.45 55.43 3dws n PHE 172 Cb 0.00 -2.12 -0.12 0.00 -0.94 0.00 0.00 39.48 36.31 3dws n PHE 172 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3dws s PHE 173 N 6.74 -0.33 -0.59 1.38 5.36 -1.26 -1.88 117.98 127.39 3dws s PHE 173 Ca 0.60 0.80 -0.13 0.00 -0.96 0.00 0.00 56.93 57.24 3dws s PHE 173 Cb 0.09 0.10 0.15 0.00 -0.34 0.00 0.00 43.02 43.02 3dws s PHE 173 CO 0.11 -0.18 0.51 0.42 -1.46 0.00 0.00 175.22 174.62 3dws s ILE 174 N 0.52 4.89 0.20 3.12 1.01 0.45 -4.92 121.20 126.47 3dws s ILE 174 Ca -0.03 -1.91 -0.11 0.00 0.00 0.00 0.00 60.65 58.60 3dws s ILE 174 Cb -0.05 -4.13 0.12 0.00 0.01 0.00 0.00 42.46 38.41 3dws s ILE 174 CO -0.03 -0.88 1.82 -0.65 0.00 0.00 0.00 174.94 175.20 3dws h PRO 175 N 8.37 0.68 0.00 2.79 0.11 -1.96 0.90 132.00 142.89 3dws h PRO 175 Ca -0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 3dws h PRO 175 Cb 1.07 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3dws h PRO 175 CO 0.90 0.45 -0.06 0.10 -0.21 0.00 0.00 178.00 179.18 3dws h TYR 176 N 0.70 0.00 -0.22 0.65 -0.00 -1.96 -0.10 116.97 116.04 3dws h TYR 176 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.99 3dws h TYR 176 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.83 3dws h TYR 176 CO -0.07 0.06 0.00 0.54 -0.00 0.00 0.00 178.16 178.69 3dws n ARG 177 N -3.26 2.07 -4.06 0.10 1.74 -0.98 -4.99 116.66 107.27 3dws n ARG 177 Ca -0.01 -1.93 -0.32 0.00 -0.77 0.00 0.00 57.85 54.82 3dws n ARG 177 Cb 0.25 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 3dws n ARG 177 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3dws n ASN 178 N 1.16 -1.26 -3.68 0.55 5.15 0.18 -4.94 115.26 112.42 3dws n ASN 178 Ca 0.14 -1.15 -0.11 0.00 -0.60 0.00 0.00 54.58 52.86 3dws n ASN 178 Cb 0.51 -2.36 -0.12 0.00 -0.53 0.00 0.00 39.78 37.29 3dws n ASN 178 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3dws s GLU 179 N -6.92 0.25 0.77 1.20 2.12 -0.40 -5.00 118.70 110.72 3dws s GLU 179 Ca 0.16 0.78 -0.15 0.00 0.36 0.00 0.00 54.97 56.12 3dws s GLU 179 Cb -0.07 0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.38 3dws s GLU 179 CO 0.94 -0.22 0.93 0.00 -0.54 0.00 0.00 175.26 176.36 3dws n ALA 180 N 4.89 -0.56 -0.00 6.30 0.00 -1.26 -0.41 120.51 129.47 3dws n ALA 180 Ca -0.14 -0.28 -0.19 0.00 0.00 0.00 0.00 53.44 52.83 3dws n ALA 180 Cb 0.51 -2.09 -0.14 0.00 0.00 0.00 0.00 19.45 17.73 3dws n ALA 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dws h ARG 181 N -0.59 0.18 0.00 0.00 2.43 -1.73 -3.44 114.38 111.23 3dws h ARG 181 Ca -0.46 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 3dws h ARG 181 Cb 1.32 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3dws h ARG 181 CO 0.45 1.15 0.00 0.41 -1.51 0.00 0.00 179.97 180.47 3dws n GLY 182 N 1.65 5.26 0.82 2.80 0.00 -1.26 -4.84 105.19 109.62 3dws n GLY 182 Ca -0.16 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.71 3dws n GLY 182 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dws n ILE 183 N 0.00 0.17 0.00 -0.61 -6.64 -0.08 -4.76 119.36 107.44 3dws n ILE 183 Ca 0.00 -0.48 0.00 0.00 -1.77 0.00 0.00 62.75 60.50 3dws n ILE 183 Cb 0.00 0.91 0.00 0.00 -1.44 0.00 0.00 39.64 39.11 3dws n ILE 183 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3dws n GLY 184 N 1.31 0.13 0.00 3.28 0.00 -1.25 -4.84 105.19 103.81 3dws n GLY 184 Ca 0.17 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3dws n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 185 N 0.00 0.42 3.24 -0.02 0.00 -1.26 -1.85 105.19 105.73 3dws n GLY 185 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 3dws n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dws s LEU 186 N 0.00 2.15 -0.14 0.99 1.43 0.91 -3.92 118.68 120.11 3dws s LEU 186 Ca 0.00 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 3dws s LEU 186 Cb 0.00 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.29 3dws s LEU 186 CO 0.00 0.16 0.35 0.12 0.23 0.00 0.00 176.35 177.21 3dws s PHE 187 N -0.77 -0.43 -0.10 0.29 2.19 -0.35 -1.21 117.98 117.62 3dws s PHE 187 Ca 0.07 1.00 -0.19 0.00 0.33 0.00 0.00 56.93 58.14 3dws s PHE 187 Cb -0.09 0.15 0.04 0.00 -1.31 0.00 0.00 43.02 41.82 3dws s PHE 187 CO 0.01 -0.23 0.47 -0.59 1.83 0.00 0.00 175.22 176.72 3dws s PHE 188 N 0.60 -0.44 0.16 10.12 -0.71 -0.17 -4.41 117.98 123.13 3dws s PHE 188 Ca -0.03 0.91 -0.03 0.00 -1.04 0.00 0.00 56.93 56.74 3dws s PHE 188 Cb -0.05 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 3dws s PHE 188 CO -0.04 -0.38 0.12 0.34 -1.34 0.00 0.00 175.22 173.93 3dws s ASP 189 N -0.61 0.22 -1.46 1.98 -1.08 -1.26 -0.26 116.67 114.19 3dws s ASP 189 Ca -0.07 -1.19 -0.07 0.00 -0.52 0.00 0.00 52.55 50.69 3dws s ASP 189 Cb -0.03 0.35 0.03 0.00 -1.46 0.00 0.00 42.92 41.81 3dws s ASP 189 CO 0.04 -0.79 0.68 0.47 0.52 0.00 0.00 175.17 176.09 3dws n ASP 190 N -0.16 -5.39 -4.54 -0.34 8.00 -1.19 -4.89 116.55 108.04 3dws n ASP 190 Ca -0.04 -0.39 -0.41 0.00 0.71 0.00 0.00 54.79 54.66 3dws n ASP 190 Cb 0.64 -4.35 -0.03 0.00 -0.02 0.00 0.00 41.12 37.36 3dws n ASP 190 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dws s LEU 191 N -6.77 3.55 0.00 0.64 2.96 -0.54 -4.58 118.68 113.94 3dws s LEU 191 Ca 0.40 -1.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.27 3dws s LEU 191 Cb -0.19 -2.54 0.12 0.00 0.50 0.00 0.00 46.19 44.08 3dws s LEU 191 CO 0.49 -1.59 0.99 -0.46 -1.32 0.00 0.00 176.35 174.46 3dws n ASN 192 N 8.82 0.22 0.16 3.68 0.23 -1.26 -1.39 115.26 125.71 3dws n ASN 192 Ca 0.19 -1.88 0.03 0.00 -0.53 0.00 0.00 54.58 52.39 3dws n ASN 192 Cb 0.50 -0.18 0.21 0.00 -2.08 0.00 0.00 39.78 38.23 3dws n ASN 192 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3dws h GLU 193 N 0.28 0.00 -6.20 -3.83 3.07 -1.96 -3.44 114.58 102.49 3dws h GLU 193 Ca -0.10 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.28 3dws h GLU 193 Cb 1.49 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.38 3dws h GLU 193 CO 0.01 0.49 -0.46 -1.58 -1.40 0.00 0.00 179.01 176.07 3dws s TRP 194 N -3.40 3.25 0.47 4.33 0.51 -1.26 -5.08 118.94 117.75 3dws s TRP 194 Ca 0.01 -0.09 -0.22 0.00 -2.12 0.00 0.00 56.10 53.67 3dws s TRP 194 Cb 0.10 -1.56 -0.09 0.00 -0.81 0.00 0.00 33.47 31.11 3dws s TRP 194 CO 0.72 0.41 0.93 -2.30 -0.51 0.00 0.00 176.95 176.21 3dws n PRO 195 N -1.34 1.15 -0.38 4.98 -0.02 -1.26 -4.67 135.00 133.46 3dws n PRO 195 Ca -0.07 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 3dws n PRO 195 Cb 0.58 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.99 3dws n PRO 195 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3dws h PHE 196 N 1.18 -1.68 -0.90 6.00 3.04 -1.98 -0.39 116.94 122.21 3dws h PHE 196 Ca -0.45 0.12 0.18 0.00 3.98 0.00 0.00 57.97 61.80 3dws h PHE 196 Cb 1.35 0.86 -0.11 0.00 2.56 0.00 0.00 35.95 40.62 3dws h PHE 196 CO 0.41 -0.39 0.46 0.93 -2.02 0.00 0.00 178.31 177.70 3dws h GLU 197 N -0.04 0.57 -0.07 1.11 4.39 -2.00 -0.37 114.58 118.17 3dws h GLU 197 Ca 0.19 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 3dws h GLU 197 Cb 0.47 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3dws h GLU 197 CO -0.91 0.38 -0.00 -0.22 -1.16 0.00 0.00 179.01 177.10 3dws h LYS 198 N 0.59 0.12 -0.73 2.33 3.64 -1.42 -1.83 116.57 119.27 3dws h LYS 198 Ca 0.52 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.97 3dws h LYS 198 Cb 0.83 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.55 3dws h LYS 198 CO -0.41 0.40 0.33 0.00 -2.27 0.00 0.00 179.45 177.50 3dws h PHE 200 N 0.53 -0.39 -0.73 0.00 3.57 -0.85 -1.99 116.94 117.08 3dws h PHE 200 Ca 0.38 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.99 3dws h PHE 200 Cb 0.49 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 3dws h PHE 200 CO -0.13 -0.23 0.48 0.93 -2.23 0.00 0.00 178.31 177.13 3dws h GLU 201 N -0.37 0.52 -0.21 1.11 4.39 -0.89 -0.90 114.58 118.23 3dws h GLU 201 Ca -0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3dws h GLU 201 Cb 0.31 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3dws h GLU 201 CO 0.02 0.34 0.11 0.35 -1.16 0.00 0.00 179.01 178.67 3dws h PHE 202 N 0.53 0.29 0.00 4.33 3.57 -0.79 -0.78 116.94 124.09 3dws h PHE 202 Ca 0.35 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 3dws h PHE 202 Cb 0.62 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3dws h PHE 202 CO -0.00 0.28 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.66 3dws h VAL 203 N 0.22 1.03 -0.51 1.41 -1.51 -0.49 0.24 116.25 116.64 3dws h VAL 203 Ca 0.07 -1.13 -0.12 0.00 -1.23 0.00 0.00 66.70 64.29 3dws h VAL 203 Cb 0.09 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.87 3dws h VAL 203 CO -0.01 0.30 -0.15 1.56 -1.23 0.00 0.00 177.57 178.04 3dws h GLN 204 N 0.00 0.99 -0.10 5.19 4.20 -1.02 0.15 115.11 124.52 3dws h GLN 204 Ca -0.00 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 3dws h GLN 204 Cb 0.62 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3dws h GLN 204 CO 0.04 1.06 0.03 0.00 -0.67 0.00 0.00 178.83 179.30 3dws h ALA 205 N 0.94 0.13 -0.41 3.87 0.00 -0.12 -1.11 119.26 122.56 3dws h ALA 205 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3dws h ALA 205 Cb 0.72 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3dws h ALA 205 CO 0.06 -0.27 0.05 0.28 0.00 0.00 0.00 179.25 179.37 3dws h VAL 206 N -0.02 0.75 -0.46 0.00 2.07 -0.39 0.60 116.25 118.81 3dws h VAL 206 Ca 0.03 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3dws h VAL 206 Cb 0.20 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3dws h VAL 206 CO -0.00 0.03 0.30 1.23 0.02 0.00 0.00 177.57 179.15 3dws h GLY 207 N 0.17 0.64 1.05 2.17 0.00 -0.57 -1.47 103.07 105.07 3dws h GLY 207 Ca 0.20 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3dws h GLY 207 CO -0.29 0.22 -0.04 1.70 0.00 0.00 0.00 176.54 178.14 3dws h LYS 208 N 0.61 0.96 -0.87 4.80 3.64 -0.86 -2.96 116.57 121.89 3dws h LYS 208 Ca 0.17 -0.33 0.20 0.00 -1.27 0.00 0.00 60.65 59.43 3dws h LYS 208 Cb -0.06 -0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 31.57 3dws h LYS 208 CO -0.04 0.99 0.37 0.78 -2.27 0.00 0.00 179.45 179.27 3dws h GLY 209 N 0.83 1.44 -0.51 5.01 0.00 0.80 -2.70 103.07 107.93 3dws h GLY 209 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3dws h GLY 209 CO 0.03 -0.22 0.00 2.98 0.00 0.00 0.00 176.54 179.33 3dws n TYR 210 N -5.04 0.00 0.00 5.60 9.36 -0.61 -0.19 117.16 126.29 3dws n TYR 210 Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 3dws n TYR 210 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 3dws n TYR 210 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3dws n ASP 212 N 0.01 0.00 -0.01 2.98 8.00 -1.02 -1.17 116.55 125.34 3dws n ASP 212 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 3dws n ASP 212 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3dws n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dws h ALA 213 N 0.00 0.09 0.04 2.24 0.00 -0.85 -3.41 119.26 117.37 3dws h ALA 213 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 54.91 54.01 3dws h ALA 213 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3dws h ALA 213 CO 0.00 0.32 -2.06 0.98 0.00 0.00 0.00 179.25 178.49 3dws n TYR 214 N -4.26 0.62 -0.33 0.00 9.36 -0.32 -4.40 117.16 117.84 3dws n TYR 214 Ca -0.10 0.19 -0.00 0.00 3.32 0.00 0.00 57.90 61.31 3dws n TYR 214 Cb 0.64 -1.07 0.13 0.00 -0.63 0.00 0.00 39.34 38.40 3dws n TYR 214 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3dws h ILE 215 N -0.44 1.11 -0.82 2.97 1.08 -1.80 -1.87 117.51 117.74 3dws h ILE 215 Ca -0.51 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3dws h ILE 215 Cb 1.73 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 3dws h ILE 215 CO -0.14 0.20 0.53 -0.65 -0.69 0.00 0.00 178.15 177.40 3dws h PRO 216 N 1.09 1.09 -0.36 2.37 0.11 -1.80 -0.92 132.00 133.59 3dws h PRO 216 Ca 0.37 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.43 3dws h PRO 216 Cb 0.07 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 3dws h PRO 216 CO -0.14 0.73 0.20 0.82 -0.21 0.00 0.00 178.00 179.40 3dws h ILE 217 N 1.12 1.03 -0.07 4.15 2.04 -1.57 0.94 117.51 125.14 3dws h ILE 217 Ca 0.30 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3dws h ILE 217 Cb -0.11 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3dws h ILE 217 CO -0.06 0.08 0.00 0.58 0.00 0.00 0.00 178.15 178.74 3dws h VAL 218 N 0.41 0.95 -0.84 1.67 2.07 -1.11 -0.34 116.25 119.07 3dws h VAL 218 Ca 0.14 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3dws h VAL 218 Cb 0.02 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3dws h VAL 218 CO -0.07 0.00 0.55 -1.13 0.02 0.00 0.00 177.57 176.94 3dws h ASN 219 N 0.03 0.87 0.19 0.57 -0.73 -0.77 0.14 115.58 115.87 3dws h ASN 219 Ca 0.03 -0.01 -0.19 0.00 1.87 0.00 0.00 56.30 58.01 3dws h ASN 219 Cb 0.04 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.43 3dws h ASN 219 CO -0.06 0.59 -0.72 -0.09 -0.37 0.00 0.00 177.43 176.78 3dws h ARG 220 N 1.00 0.46 0.00 6.67 2.43 -0.45 -3.37 114.38 121.13 3dws h ARG 220 Ca 0.34 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3dws h ARG 220 Cb 0.09 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3dws h ARG 220 CO -0.11 1.00 -1.93 0.54 -1.51 0.00 0.00 179.97 177.97 3dws n ARG 221 N -3.86 0.67 -0.33 0.20 5.12 -0.17 -4.66 116.66 113.62 3dws n ARG 221 Ca -0.05 -0.14 0.17 0.00 -1.93 0.00 0.00 57.85 55.90 3dws n ARG 221 Cb 0.70 -1.45 0.41 0.00 -1.16 0.00 0.00 32.46 30.96 3dws n ARG 221 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 3dws h LYS 222 N 0.00 0.57 -0.58 5.56 2.10 -0.89 0.13 116.57 123.45 3dws h LYS 222 Ca -0.08 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3dws h LYS 222 Cb 1.08 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 3dws h LYS 222 CO 0.00 0.38 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 3dws n ASN 223 N -4.73 3.31 -4.71 7.07 4.13 -1.26 -4.88 115.26 114.18 3dws n ASN 223 Ca 0.24 -2.19 -0.42 0.00 1.68 0.00 0.00 54.58 53.89 3dws n ASN 223 Cb 0.71 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 38.48 3dws n ASN 223 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3dws s THR 224 N -1.57 2.33 0.62 3.41 2.01 0.44 -4.98 115.64 117.90 3dws s THR 224 Ca 0.37 0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.36 3dws s THR 224 Cb 0.22 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 3dws s THR 224 CO 0.21 0.01 1.24 -2.84 -0.69 0.00 0.00 174.62 172.55 3dws s PRO 225 N 1.46 2.79 0.06 4.92 0.02 -1.26 -4.94 135.00 138.04 3dws s PRO 225 Ca 0.74 1.93 -0.16 0.00 0.02 0.00 0.00 61.00 63.52 3dws s PRO 225 Cb -0.47 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.19 3dws s PRO 225 CO 0.32 -1.38 0.38 1.52 -0.33 0.00 0.00 177.00 177.51 3dws s TYR 226 N -1.51 -0.20 0.40 6.54 1.13 -1.26 -5.00 117.35 117.44 3dws s TYR 226 Ca 0.80 0.09 0.08 0.00 -1.41 0.00 0.00 57.07 56.62 3dws s TYR 226 Cb -0.33 0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.68 3dws s TYR 226 CO 0.36 -0.57 0.32 0.95 -2.51 0.00 0.00 175.55 174.10 3dws s THR 227 N -2.71 2.70 0.33 -3.49 -4.23 -1.26 -5.01 115.64 101.98 3dws s THR 227 Ca -0.04 -1.43 0.14 0.00 -1.18 0.00 0.00 61.69 59.18 3dws s THR 227 Cb -0.00 -3.02 0.08 0.00 1.34 0.00 0.00 72.50 70.90 3dws s THR 227 CO -0.04 -0.03 1.79 -0.33 -0.54 0.00 0.00 174.62 175.47 3dws h GLU 228 N 1.15 0.00 -0.86 3.99 4.39 -2.02 -2.36 114.58 118.86 3dws h GLU 228 Ca -0.42 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 3dws h GLU 228 Cb 1.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 3dws h GLU 228 CO 0.60 0.41 0.47 1.96 -1.16 0.00 0.00 179.01 181.29 3dws h GLN 229 N 0.00 1.21 -0.43 2.33 7.50 -1.99 -1.14 115.11 122.59 3dws h GLN 229 Ca -0.00 -0.14 -0.10 0.00 0.50 0.00 0.00 58.65 58.90 3dws h GLN 229 Cb 0.76 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 3dws h GLN 229 CO 0.05 0.89 -0.11 1.96 -1.50 0.00 0.00 178.83 180.12 3dws h GLN 230 N 1.21 0.83 -0.55 1.46 4.20 -1.83 -2.22 115.11 118.21 3dws h GLN 230 Ca 0.30 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3dws h GLN 230 Cb 0.04 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3dws h GLN 230 CO -0.05 0.95 0.32 0.28 -0.67 0.00 0.00 178.83 179.67 3dws h VAL 231 N 0.65 1.16 -0.22 -0.54 2.07 -1.24 -1.28 116.25 116.86 3dws h VAL 231 Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3dws h VAL 231 Cb 0.65 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3dws h VAL 231 CO 0.04 0.17 0.10 -0.08 0.02 0.00 0.00 177.57 177.82 3dws h GLU 232 N 0.75 0.32 -0.52 1.57 4.81 -0.91 -0.98 114.58 119.62 3dws h GLU 232 Ca 0.20 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3dws h GLU 232 Cb -0.02 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3dws h GLU 232 CO -0.04 0.34 0.29 0.35 -0.73 0.00 0.00 179.01 179.23 3dws h PHE 233 N 0.21 0.54 -0.64 0.92 3.57 -1.06 -2.28 116.94 118.20 3dws h PHE 233 Ca 0.07 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.71 3dws h PHE 233 Cb 0.14 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.62 3dws h PHE 233 CO -0.02 0.29 0.17 0.37 -2.23 0.00 0.00 178.31 176.89 3dws h GLN 234 N 0.57 0.30 -0.25 1.11 4.15 -0.92 -0.01 115.11 120.06 3dws h GLN 234 Ca 0.22 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 3dws h GLN 234 Cb 0.07 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3dws h GLN 234 CO -0.12 0.20 -0.40 0.93 -1.93 0.00 0.00 178.83 177.51 3dws h GLU 235 N 0.31 0.58 -0.73 1.69 5.08 -0.85 0.15 114.58 120.82 3dws h GLU 235 Ca 0.34 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3dws h GLU 235 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3dws h GLU 235 CO -0.40 0.88 0.23 0.74 -1.00 0.00 0.00 179.01 179.46 3dws h PHE 236 N 0.48 1.17 -0.07 4.33 0.04 -1.01 0.34 116.94 122.23 3dws h PHE 236 Ca 0.04 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 3dws h PHE 236 Cb 0.90 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 3dws h PHE 236 CO 0.04 0.93 -0.26 0.00 -0.60 0.00 0.00 178.31 178.42 3dws h ARG 237 N 1.08 0.13 0.00 1.51 2.47 -0.45 -2.43 114.38 116.69 3dws h ARG 237 Ca 0.23 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3dws h ARG 237 Cb 0.31 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3dws h ARG 237 CO -0.01 0.38 0.00 0.54 0.56 0.00 0.00 179.97 181.45 3dws n ARG 238 N -4.19 0.16 -0.11 0.04 1.74 -0.01 -1.88 116.66 112.43 3dws n ARG 238 Ca -0.01 0.21 -0.09 0.00 -0.77 0.00 0.00 57.85 57.19 3dws n ARG 238 Cb 0.34 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 3dws n ARG 238 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3dws h GLY 239 N 3.95 0.51 1.24 -0.13 0.00 -1.04 -1.81 103.07 105.80 3dws h GLY 239 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.10 3dws h GLY 239 CO 0.00 0.25 0.43 3.21 0.00 0.00 0.00 176.54 180.42 3dws h ARG 240 N 0.39 0.73 -0.02 4.80 2.47 -1.42 -0.14 114.38 121.19 3dws h ARG 240 Ca 0.11 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3dws h ARG 240 Cb 0.14 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3dws h ARG 240 CO -0.01 0.49 -0.03 -0.92 0.56 0.00 0.00 179.97 180.05 3dws h TYR 241 N 0.76 0.08 -0.06 3.04 3.20 -1.34 -1.75 116.97 120.89 3dws h TYR 241 Ca 0.26 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3dws h TYR 241 Cb 0.09 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3dws h TYR 241 CO -0.00 0.58 -0.37 0.00 -1.64 0.00 0.00 178.16 176.73 3dws h ALA 242 N 0.49 -0.53 -0.84 1.82 0.00 -1.25 -2.34 119.26 116.61 3dws h ALA 242 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3dws h ALA 242 Cb 0.57 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 3dws h ALA 242 CO 0.01 -0.88 -0.47 0.93 0.00 0.00 0.00 179.25 178.84 3dws h GLU 243 N -0.49 -0.08 -0.27 0.00 5.08 -0.86 -0.37 114.58 117.59 3dws h GLU 243 Ca 0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3dws h GLU 243 Cb 0.60 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3dws h GLU 243 CO -0.33 -0.06 0.06 0.35 -1.00 0.00 0.00 179.01 178.03 3dws h PHE 244 N -0.09 0.09 -0.37 4.33 3.04 -1.04 0.16 116.94 123.07 3dws h PHE 244 Ca 0.23 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.12 3dws h PHE 244 Cb 0.53 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 3dws h PHE 244 CO -0.86 0.03 -0.07 -0.91 -2.02 0.00 0.00 178.31 174.48 3dws h ASN 245 N 0.16 0.60 0.54 0.41 4.21 -0.66 0.26 115.58 121.10 3dws h ASN 245 Ca 0.12 -0.15 -0.26 0.00 1.21 0.00 0.00 56.30 57.22 3dws h ASN 245 Cb 0.12 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.12 3dws h ASN 245 CO -0.16 0.72 -1.64 0.18 -1.29 0.00 0.00 177.43 175.24 3dws n LEU 246 N -4.21 0.86 -0.07 1.61 4.77 -0.28 -3.96 117.00 115.72 3dws n LEU 246 Ca 0.01 0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 3dws n LEU 246 Cb 0.31 0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 3dws n LEU 246 CO 0.41 0.32 -1.06 0.52 -1.33 0.00 0.00 177.39 176.25 3dws n VAL 247 N -3.00 1.60 -0.01 4.08 0.31 0.55 -4.88 118.33 116.97 3dws n VAL 247 Ca -0.15 -0.65 -0.05 0.00 -0.01 0.00 0.00 64.34 63.48 3dws n VAL 247 Cb 1.00 -1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 32.51 3dws n VAL 247 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3dws n ILE 248 N -3.27 0.71 -1.65 2.52 2.08 -0.09 -5.03 119.36 114.63 3dws n ILE 248 Ca -0.37 0.08 -0.60 0.00 0.56 0.00 0.00 62.75 62.42 3dws n ILE 248 Cb 1.04 -1.65 -0.08 0.00 -0.75 0.00 0.00 39.64 38.19 3dws n ILE 248 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3dws n ASP 249 N -3.45 1.28 -0.08 4.38 2.03 -0.21 -4.86 116.55 115.64 3dws n ASP 249 Ca -0.09 1.14 -0.14 0.00 0.52 0.00 0.00 54.79 56.22 3dws n ASP 249 Cb 0.40 -1.01 -0.05 0.00 -0.72 0.00 0.00 41.12 39.75 3dws n ASP 249 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3dws h ARG 250 N 4.98 0.78 -0.69 -0.67 2.43 -1.92 -2.29 114.38 117.00 3dws h ARG 250 Ca -0.47 -0.47 0.05 0.00 -0.81 0.00 0.00 59.98 58.28 3dws h ARG 250 Cb 1.37 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.91 3dws h ARG 250 CO 0.86 1.10 0.40 0.78 -1.51 0.00 0.00 179.97 181.60 3dws h GLY 251 N 0.54 1.02 0.65 2.80 0.00 -1.96 0.60 103.07 106.72 3dws h GLY 251 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3dws h GLY 251 CO 0.10 0.19 -0.02 -0.84 0.00 0.00 0.00 176.54 175.98 3dws h THR 252 N 0.75 1.21 -0.23 4.70 2.02 -1.83 -1.47 112.91 118.06 3dws h THR 252 Ca 0.30 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.72 3dws h THR 252 Cb 0.15 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 3dws h THR 252 CO -0.16 0.20 -0.51 0.11 0.37 0.00 0.00 175.52 175.52 3dws h LYS 253 N -0.40 -0.46 -0.23 6.66 1.57 -1.07 -1.19 116.57 121.45 3dws h LYS 253 Ca -0.01 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3dws h LYS 253 Cb 0.37 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3dws h LYS 253 CO 0.01 -0.30 0.10 0.74 -0.57 0.00 0.00 179.45 179.42 3dws h PHE 254 N -0.47 0.35 -0.09 -1.35 0.04 0.17 -2.01 116.94 113.57 3dws h PHE 254 Ca 0.04 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.83 3dws h PHE 254 Cb 0.60 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 3dws h PHE 254 CO -0.64 0.38 -0.43 0.78 -0.60 0.00 0.00 178.31 177.80 3dws h GLY 255 N 0.23 -0.77 1.85 -1.45 0.00 -1.20 -1.25 103.07 100.47 3dws h GLY 255 Ca 0.08 0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.90 3dws h GLY 255 CO -0.01 -0.23 -0.11 1.41 0.00 0.00 0.00 176.54 177.61 3dws h LEU 256 N -0.53 0.18 0.00 3.11 3.38 -1.09 -0.34 115.31 120.02 3dws h LEU 256 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dws h LEU 256 Cb 0.64 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3dws h LEU 256 CO -0.38 0.32 -0.83 0.00 0.09 0.00 0.00 178.44 177.64 3dws n GLN 257 N -4.31 0.10 -0.43 1.13 10.64 -0.77 -4.16 117.38 119.58 3dws n GLN 257 Ca -0.01 -0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.24 3dws n GLN 257 Cb 0.24 -1.53 0.25 0.00 -0.86 0.00 0.00 30.24 28.34 3dws n GLN 257 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3dws n SER 258 N -1.66 3.76 0.00 2.61 3.41 -0.49 -4.86 113.62 116.39 3dws n SER 258 Ca 0.04 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 3dws n SER 258 Cb 0.37 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3dws n SER 258 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dws n GLY 259 N -0.59 0.59 3.55 5.00 0.00 -1.20 -4.93 105.19 107.62 3dws n GLY 259 Ca 0.21 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 3dws n GLY 259 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dws s GLY 260 N -2.41 1.54 -0.57 -0.02 0.00 -0.15 -4.95 107.32 100.77 3dws s GLY 260 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 44.72 43.99 3dws s GLY 260 CO 0.00 0.26 0.91 -1.60 0.00 0.00 0.00 173.10 172.67 3dws s ARG 261 N -4.92 3.25 0.12 2.90 3.52 -1.26 -4.82 118.95 117.74 3dws s ARG 261 Ca 0.68 -0.47 -0.31 0.00 -0.13 0.00 0.00 55.73 55.50 3dws s ARG 261 Cb -0.18 -4.10 -0.10 0.00 -1.56 0.00 0.00 34.95 29.01 3dws s ARG 261 CO 0.59 -1.53 1.51 1.15 -0.81 0.00 0.00 175.30 176.22 3dws h THR 262 N 5.99 0.00 -0.39 4.11 2.02 -1.94 -1.82 112.91 120.88 3dws h THR 262 Ca -0.27 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3dws h THR 262 Cb 1.08 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3dws h THR 262 CO 1.09 0.00 0.26 -0.33 0.37 0.00 0.00 175.52 176.91 3dws h GLU 263 N -0.36 0.47 -0.12 6.66 4.39 -1.95 -0.32 114.58 123.36 3dws h GLU 263 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3dws h GLU 263 Cb 0.55 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3dws h GLU 263 CO -0.57 0.31 0.02 0.77 -1.16 0.00 0.00 179.01 178.38 3dws h SER 264 N 0.49 0.19 -0.51 1.42 0.02 -1.79 -2.97 113.55 110.39 3dws h SER 264 Ca 0.15 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3dws h SER 264 Cb -0.00 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3dws h SER 264 CO -0.03 0.40 0.30 0.40 -1.14 0.00 0.00 176.83 176.76 3dws h ILE 265 N -0.03 1.16 -0.64 3.27 2.04 -0.38 -3.09 117.51 119.84 3dws h ILE 265 Ca 0.04 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 3dws h ILE 265 Cb 0.29 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 3dws h ILE 265 CO 0.00 0.18 0.12 0.18 0.00 0.00 0.00 178.15 178.63 3dws n LEU 266 N -4.41 5.86 0.34 1.44 4.77 -0.61 -4.08 117.00 120.31 3dws n LEU 266 Ca 0.05 -3.08 0.23 0.00 -0.03 0.00 0.00 56.01 53.18 3dws n LEU 266 Cb 0.09 -0.71 1.20 0.00 -2.33 0.00 0.00 43.42 41.67 3dws n LEU 266 CO 0.37 0.72 1.18 0.16 -1.33 0.00 0.00 177.39 178.48 3dws h ILE 267 N 3.33 0.01 0.00 -0.08 3.07 -1.43 -2.83 117.51 119.58 3dws h ILE 267 Ca 0.12 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.51 3dws h ILE 267 Cb 2.13 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 39.70 3dws h ILE 267 CO 0.60 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.47 3dws h SER 268 N 0.00 0.00 -3.77 2.16 4.64 -1.85 -3.44 113.55 111.29 3dws h SER 268 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3dws h SER 268 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3dws h SER 268 CO 0.00 0.00 0.25 -0.76 -0.87 0.00 0.00 176.83 175.45 3dws s LEU 269 N -5.87 4.31 0.68 5.97 1.43 -1.07 -4.92 118.68 119.21 3dws s LEU 269 Ca -0.02 1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.62 3dws s LEU 269 Cb 0.10 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3dws s LEU 269 CO 0.44 -0.05 1.07 -2.16 0.23 0.00 0.00 176.35 175.89 3dws s PRO 270 N -2.11 2.88 0.15 1.29 0.04 -1.26 -4.96 135.00 131.03 3dws s PRO 270 Ca 0.48 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 3dws s PRO 270 Cb -0.17 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.43 3dws s PRO 270 CO 0.22 -1.16 1.66 -1.00 0.04 0.00 0.00 177.00 176.76 3dws h PRO 271 N -0.37 0.81 -4.63 0.56 0.13 -1.95 -3.43 132.00 123.12 3dws h PRO 271 Ca -0.45 -0.19 -0.37 0.00 -0.87 0.00 0.00 66.00 64.12 3dws h PRO 271 Cb 1.22 -0.11 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 3dws h PRO 271 CO 0.55 0.77 -0.77 1.03 -0.23 0.00 0.00 178.00 179.36 3dws s ARG 272 N -5.33 0.65 0.15 0.86 0.52 -1.26 -5.16 118.95 109.38 3dws s ARG 272 Ca -0.13 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 3dws s ARG 272 Cb 0.12 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.92 3dws s ARG 272 CO 0.79 0.17 -0.06 0.00 0.02 0.00 0.00 175.30 176.22 3dws s ALA 273 N -0.24 1.34 0.03 2.13 0.00 -1.26 -4.70 121.76 119.05 3dws s ALA 273 Ca 0.03 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.50 3dws s ALA 273 Cb -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3dws s ALA 273 CO -0.00 -0.19 -0.06 1.03 0.00 0.00 0.00 175.76 176.54 3dws s ARG 274 N -3.82 0.42 0.03 0.00 0.52 0.12 -4.87 118.95 111.36 3dws s ARG 274 Ca 0.18 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.82 3dws s ARG 274 Cb 0.04 -0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.32 3dws s ARG 274 CO 0.01 0.02 -0.14 -1.58 0.02 0.00 0.00 175.30 173.63 3dws s TRP 275 N -1.20 1.20 -0.01 -0.53 0.51 -1.26 -4.08 118.94 113.58 3dws s TRP 275 Ca -0.10 -0.33 -0.03 0.00 -2.12 0.00 0.00 56.10 53.51 3dws s TRP 275 Cb -0.09 -0.72 -0.00 0.00 -0.81 0.00 0.00 33.47 31.85 3dws s TRP 275 CO -0.00 0.02 0.07 0.20 -0.51 0.00 0.00 176.95 176.73 3dws s GLY 276 N -1.02 0.05 0.02 0.98 0.00 -1.26 -5.08 107.32 101.02 3dws s GLY 276 Ca 0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 3dws s GLY 276 CO 0.01 -0.17 1.57 -0.47 0.00 0.00 0.00 173.10 174.04 3dws s TYR 277 N -0.79 2.47 -1.43 1.90 5.04 -1.26 -1.87 117.35 121.42 3dws s TYR 277 Ca -0.09 0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 54.96 3dws s TYR 277 Cb -0.05 -3.86 0.02 0.00 0.35 0.00 0.00 41.96 38.42 3dws s TYR 277 CO 0.00 -3.41 0.34 0.09 -1.34 0.00 0.00 175.55 171.24 3dws n ASN 278 N 5.83 -5.05 -4.70 4.32 4.13 -1.26 -4.94 115.26 113.60 3dws n ASN 278 Ca 0.15 -0.16 -0.42 0.00 1.68 0.00 0.00 54.58 55.83 3dws n ASN 278 Cb 0.42 -4.16 -0.03 0.00 -1.54 0.00 0.00 39.78 34.48 3dws n ASN 278 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3dws s TRP 279 N -2.98 2.92 -0.01 3.10 -0.00 -0.78 -5.01 118.94 116.19 3dws s TRP 279 Ca 0.21 0.81 -0.04 0.00 -0.00 0.00 0.00 56.10 57.08 3dws s TRP 279 Cb -0.10 -3.69 -0.00 0.00 -0.00 0.00 0.00 33.47 29.68 3dws s TRP 279 CO 0.26 -2.54 0.08 1.14 -0.00 0.00 0.00 176.95 175.89 3dws s GLN 280 N 2.06 0.29 0.74 5.86 -2.07 -1.26 -4.99 119.66 120.29 3dws s GLN 280 Ca 0.65 -0.22 -0.15 0.00 -1.82 0.00 0.00 55.36 53.81 3dws s GLN 280 Cb -0.34 0.12 0.04 0.00 -1.09 0.00 0.00 33.01 31.74 3dws s GLN 280 CO 0.28 -0.06 1.25 -0.35 -1.32 0.00 0.00 175.29 175.09 3dws n PRO 281 N 2.15 0.62 -1.84 9.60 -0.04 -1.26 -4.92 135.00 139.30 3dws n PRO 281 Ca -0.19 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 3dws n PRO 281 Cb 0.57 -2.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 3dws n PRO 281 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dws s GLU 282 N -3.78 4.17 0.46 0.54 0.41 -1.26 -4.81 118.70 114.43 3dws s GLU 282 Ca 0.78 2.49 -0.24 0.00 -0.41 0.00 0.00 54.97 57.59 3dws s GLU 282 Cb -0.33 -3.08 -0.07 0.00 -1.78 0.00 0.00 34.13 28.87 3dws s GLU 282 CO 0.46 -0.61 1.25 -1.25 -0.49 0.00 0.00 175.26 174.62 3dws s PRO 283 N 0.22 3.67 0.00 0.39 0.04 -1.26 -3.12 135.00 134.94 3dws s PRO 283 Ca 0.66 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3dws s PRO 283 Cb -0.46 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.60 3dws s PRO 283 CO 0.40 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.16 3dws n GLY 284 N 0.59 1.06 3.96 0.56 0.00 -1.26 -5.02 105.19 105.08 3dws n GLY 284 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3dws n GLY 284 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dws s THR 285 N -2.85 4.79 0.64 2.61 -4.23 -1.18 -4.97 115.64 110.44 3dws s THR 285 Ca 0.00 -0.72 0.36 0.00 -1.18 0.00 0.00 61.69 60.15 3dws s THR 285 Cb 0.00 -3.72 0.38 0.00 1.34 0.00 0.00 72.50 70.51 3dws s THR 285 CO 0.00 -0.38 2.19 -0.65 -0.54 0.00 0.00 174.62 175.24 3dws h PRO 286 N 0.84 0.00 -0.11 3.99 0.11 -1.96 -1.90 132.00 132.97 3dws h PRO 286 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3dws h PRO 286 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dws h PRO 286 CO 0.59 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 179.16 3dws h GLU 287 N 0.00 0.29 -0.27 1.05 3.07 -1.93 -3.15 114.58 113.64 3dws h GLU 287 Ca 0.02 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 3dws h GLU 287 Cb 0.27 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3dws h GLU 287 CO -0.00 0.73 -0.06 0.00 -1.40 0.00 0.00 179.01 178.28 3dws h ALA 288 N 0.56 1.40 -0.33 3.43 0.00 -1.50 -2.93 119.26 119.88 3dws h ALA 288 Ca 0.01 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.81 3dws h ALA 288 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3dws h ALA 288 CO 0.03 0.42 0.27 -0.09 0.00 0.00 0.00 179.25 179.88 3dws h ARG 289 N 0.41 0.00 -0.28 0.00 2.43 -1.38 -2.03 114.38 113.53 3dws h ARG 289 Ca 0.09 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3dws h ARG 289 Cb 0.37 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 3dws h ARG 289 CO 0.02 0.00 -0.01 1.25 -1.51 0.00 0.00 179.97 179.72 3dws h LEU 290 N 0.00 -0.13 0.09 3.80 5.85 -1.62 -1.41 115.31 121.90 3dws h LEU 290 Ca 0.16 0.07 -0.31 0.00 0.84 0.00 0.00 57.88 58.63 3dws h LEU 290 Cb 0.69 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3dws h LEU 290 CO -0.00 -0.03 -1.66 0.71 -0.34 0.00 0.00 178.44 177.12 3dws h THR 291 N 0.08 0.98 -0.21 1.05 1.35 -1.60 -1.04 112.91 113.51 3dws h THR 291 Ca 0.14 -2.69 -0.09 0.00 -0.55 0.00 0.00 66.41 63.22 3dws h THR 291 Cb 0.18 2.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3dws h THR 291 CO -0.23 0.77 -0.26 -0.33 -0.25 0.00 0.00 175.52 175.22 3dws h GLU 292 N 0.05 0.40 0.00 4.72 5.08 -1.41 -3.39 114.58 120.04 3dws h GLU 292 Ca -0.29 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3dws h GLU 292 Cb 2.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3dws h GLU 292 CO 0.13 0.63 0.00 0.98 -1.00 0.00 0.00 179.01 179.75 3dws n TYR 293 N -4.13 0.00 -0.18 4.33 9.36 -0.54 -4.76 117.16 121.24 3dws n TYR 293 Ca -0.01 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.19 3dws n TYR 293 Cb 0.40 0.12 0.05 0.00 -0.63 0.00 0.00 39.34 39.27 3dws n TYR 293 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3dws h PHE 294 N 0.00 -0.31 0.00 2.98 0.04 -1.41 -0.78 116.94 117.46 3dws h PHE 294 Ca 0.00 0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 3dws h PHE 294 Cb 0.00 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3dws h PHE 294 CO 0.00 -0.24 -0.50 -0.07 -0.60 0.00 0.00 178.31 176.90 3dws h LEU 295 N -0.01 0.00 -0.87 1.54 3.38 -1.42 -2.79 115.31 115.14 3dws h LEU 295 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dws h LEU 295 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3dws h LEU 295 CO -0.57 0.50 -0.22 0.35 0.09 0.00 0.00 178.44 178.59 3dws n THR 296 N -3.62 0.00 0.26 0.22 -2.24 -0.93 -4.55 114.28 103.42 3dws n THR 296 Ca -0.00 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3dws n THR 296 Cb 0.58 0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 3dws n THR 296 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dws h LYS 297 N 2.11 -0.66 0.00 -0.78 3.64 -0.86 -3.46 116.57 116.57 3dws h LYS 297 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dws h LYS 297 Cb 0.61 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3dws h LYS 297 CO 0.00 -0.36 0.00 0.54 -2.27 0.00 0.00 179.45 177.36 3dws n ARG 298 N -5.26 0.00 -3.18 1.90 1.74 -1.26 -4.86 116.66 105.74 3dws n ARG 298 Ca -0.10 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.54 3dws n ARG 298 Cb 0.31 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.95 3dws n ARG 298 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3dws s GLN 299 N 0.00 3.11 -0.12 5.56 2.00 -1.26 -4.89 119.66 124.06 3dws s GLN 299 Ca 0.00 -0.92 0.04 0.00 -2.00 0.00 0.00 55.36 52.49 3dws s GLN 299 Cb 0.00 -4.09 -0.11 0.00 0.80 0.00 0.00 33.01 29.61 3dws s GLN 299 CO 0.00 -1.19 -0.06 0.91 -0.50 0.00 0.00 175.29 174.45 3dws n TRP 300 N 6.07 0.00 0.48 1.67 7.02 -1.26 -5.08 117.44 126.33 3dws n TRP 300 Ca -0.07 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.47 3dws n TRP 300 Cb 0.45 -0.53 0.05 0.00 -2.42 0.00 0.00 31.31 28.86 3dws n TRP 300 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00